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Chemical carcinogens and overnutrition in diet-related cancer.

The intake of known dietary carcinogens was compiled and the cancer risk was estimated on the basis of carcinogenic potencies in animals as derived from the Carcinogenic Potency Database by Gold and co-workers. The total cancer risk was compared with the number of cancer cases attributed by epidemiologists to dietary factors (one-third of all cancer cases, i.e. approximately 80,000 per one million lives). Except for alcohol, the known dietary carcinogens could not account for more than a few hundred cancer cases. This was seen both with the DNA-reactive carcinogens (heterocyclic aromatic amines, polycyclic aromatic hydrocarbons, N-nitroso compounds, estragole, aflatoxin B1, ethyl carbamate, to name the most important factors) as well as with those carcinogens which have not been shown to react with DNA (e.g. caffeic acid and the carcinogenic metals arsenic and cadmium). Residues and contaminants turned out to be negligible. Among the various possibilities to explain the discrepancy we investigated the role of overnutrition. Dietary restriction in animals is well known for its strong reducing effect on spontaneous tumor formation. These data can be used to derive a carcinogenic potency for excess macronutrients: the tumor incidence seen with the restricted animals is taken as a control value and the increased tumor incidence in the animals fed ad libitum is attributed to the additional feed intake. For excess standard diet in rats, a carcinogenic potency TD50 of 16 g/kg/day was deduced from a recent study. Overnutrition in Switzerland, estimated to be 5.5 kcal/kg/day, was converted to excess food (1.9 g/kg/day) and the cancer incidence was calculated. The result, 60,000 cancer cases per one million lives, is provocatively close to the number of cases not explained by the known dietary chemical carcinogens. Mechanistic studies will be required to test our hypothesis and investigate the role of different types of macronutrients in overnutrition.

Carcinogens↗

The use of linear expressions of solute boiling point versus retention to indicate special interactions with the molecular rings of modified cyclodextrin phases in gas chromatography

The boiling points (degrees C, 1 x 10) of diverse C10 polar solutes from volatile oils are set against their relative retention times versus n-undecane to calculate linear equations for 12 commercial modified cyclodextrin (CD) capillary phases. Ten data points are considered for each CD, then solutes are rejected until 5 or more remain that give an expression with a correlation coefficient of at least 0.990 and a standard deviation of less than 5.5. Three phases give almost perfect correlation, and 3 other CDs have difficulty complying. Solutes involved in the equations (most frequently cuminal, linalol, and carvone) are presumed to have a 'standard' polar transient interaction with the molecular rings of the CDs concerned. Several remaining solutes (mostly citral, fenchone, and menthol) exhibit extra retention over the calculated standard (up to 772%), which is believed to indicate a firm 'host' CD or 'guest' solute molecular fit in some cases. Other solutes show less retention than calculated (mostly citronellal, citronellol, estragole, and pulegone). This suggests rejection by the CD, which behaves merely as a conventional stationary phase to them. The intercept constant in the equation for each phase is suggested to be a numerical relative polarity indicator. These b values indicate that 3 hydroxypropyl CDs show the most polarity with values from 28 to 43; and CDs that are fully substituted with inert groups fall in the range of 15 to 20.

Journal Article↗

Effects of essential oils from fennel (Foeniculi aetheroleum) and caraway (Carvi aetheroleum) in pigs.

The ban of antibiotics as a feed additive requires alternatives to stabilize the health and performance particularly of the young animals. Essential oils obtained from fennel seed (Foeniculi aetheroleum) and caraway seed (Carvi aetheroleum) were tested in diets for weaned piglets in comparison with either a diet without feed additive or with a combination of formic acid and copper (positive control). Four groups of sixteen piglets (live weight 7 kg, age 26 days) received diets without (1) or with supplements of 7.5 g formic acid + 160 mg Cu/kg (2), 100 mg fennel oil/kg (3) or 100 mg caraway oil/kg (4) during 3 weeks after weaning. In the subsequent 4 weeks, all piglets were fed a diet without these additions. Fennel oil contained almost 2/3 anethol, approximately 1/5 fenchon and the remaining part consisting of alpha + beta-pinen, limonen (p-mentha-1,8-dien) and estragol. In the caraway oil, half of the contents was represented by limonen and the other half by carvon. There were no piglet losses and only few cases of diarrhoea. The combination of formic acid and copper increased feed consumption by 27% and daily weight gain by 25%. There were no differences in the performance between the group fed fennel oil and the control without additives. Piglets fed caraway oil tended to consume less feed and to gain approximately 10% less. In feed choice experiments, pigs consumed the same two diets from two troughs with 50% of total feed amount, as expected. The diets containing fennel or caraway oils were consumed at less than 50%. If the diet contained 100 mg fennel oil/kg, the decrease of percentual feed intake was significant. The results of the feeding experiment and of the feed choice experiment question the classification of fennel and caraway oils as flavour additives or as 'appetite promoters' in diets for weaned piglets.

Animal Feed↗

DPPH radical-scavenging effect of several phenylpropanoid compounds and their glycoside derivatives.

Eugenol, isoeugenol, caffeic acid, ferulic acid, isoferulic acid, estragole, trans-anethole, and paeonol are components of a Chinese herbal medicine used as a painkiller and stomachic. We investigated the potential role of these compounds as antioxidants. We studied the DPPH (1,1-diphenyl-2-picrylhydrazyl) radical-scavenging effect of these molecules, together with some glycoside derivatives, to ascertain their potential in reducing the levels of activated oxygen species in vivo. The DPPH radical-scavenging effects of eugenol, isoeugenol, and the glycoside derivatives of caffeic acid, ferulic acid, and isoferulic acid (SC(50)=8-28 microM) were similar to those of alpha-tocopherol, which was used as a positive control.

Antioxidants↗

Antifungal activity of the essential oils from some species of the genus Pinus.

The chemical composition of the essential oils from the needles of Pinus ponderosa (north american pine), P. resinosa (red pine) and P. strobus (eastern white pine) has been determined by GC/MS (FID). The essential oils from P. resinosa and P. ponderosa in comparison to P. strobus have been characterized by the higher content of beta-pinene (42.4%, 45.7% and 7.9% respectively). On the other hand, a-pinene (17.7%) and germacrene D (12.2%) were dominant compounds of P strobus. Moreover the essential oil from P. resinosa was more rich in myrcene-15.9%. Estragole and delta-3-carene, each one in amount ca 8% were identified only in P. ponderosa. The content of essential oils in the needles slightly varied--0.65%--P. resinosa, 0.4%--P strobus, 0.3%--P. ponderosa. The antifungal activity has been investigated towards Fusarium culmorum, F solani and F. poae. The strongest activity was observed for the essential oil from P. ponderosa, which fully inhibited the growth of fungi at the following concentrations--F. culmorum, F. solani at 2% and F. poae at 5%.

Antifungal Agents↗

Susceptibility of the bruchid Callosobruchus maculatus (Coleoptera: Bruchidae) and its parasitoid Dinarmus basalis (Hymenoptera: Pteromalidae) to three essential oils.

The bruchid Callosobruchus maculatus (F.) causes major losses during the storage of seeds of Vigna unguiculata (Walp.) in West Africa. An endemic parasitoid, the pteromalid Dinarmus basalis (Rond.) reduces the increase in bruchid populations in stores and could be used for biological control. African farmers often introduce essential oils into granaries at harvest time. In Togo, essential oils were extracted from two Gramineae, Cymbopogon nardus (L.) and Cymbopogon schoenanthus (L.) and from a Lamiaceae, Ocimum basilicum (L.). The major components of these essential oils were citronellal in C. nardus, carene-2 and piperitone in C. schoenanthus and estragol in O. basilicum. Cymbopogon schoenanthus was the most toxic oil for C. maculatus adults. D. basalis adults were more susceptible to the three essential oils than the adults of their hosts C. maculatus. In the presence of cowpea seeds, the LC50s of the three essential oils were lower than in their absence, suggesting that the seeds may absorb a part of the volatiles. High doses of three essential oils slightly affected the survival of the fourth instar or the pupae of C. maculatus. This high survival was due to protection of larvae from volatiles by the surrounding seeds. The D. basalis were more affected by the oil volatiles than their hosts. Sub-lethal doses of essential oils reduced the duration of the adult life of both insect species and fecundity of the females. The differences in sensitivity of the host and its parasitoid could influence their population dynamics. The introduction of the essential oils into storage systems potentially could reduce density of parasitoid populations and increase seed losses.

Animals↗

Biotransformation of allylbenzene analogues in vivo and in vitro through the epoxide-diol pathway.

1. The epoxidation of allylbenzene, safrole, estragole, eugenol and eugenol methyl ether was investigated in rats pretreated with these compounds and also in vitro using hepatic microsomal preparations and adult rat liver cell cultures. 2. Dihydrodiols were detected in the urine and liver of rats pretreated with allylbenzene compounds. Similarly, incubation of allylbenzene epoxides with hepatic microsomal preparations and adult rat liver cell cultures gave rise to the formation of dihydrodiols.

Allylbenzene Derivatives↗

NTP Toxicology and Carcinogenesis Studies of Methyleugenol (CAS NO. 93-15-2) in F344/N Rats and B6C3F1 Mice (Gavage Studies).

Methyleugenol is used as a flavoring agent in jellies, baked goods, nonalcoholic beverages, chewing gum, candy, pudding, relish, and ice cream. It is also used as a fragrance in perfumes, creams, lotions, detergents, and soaps. Methyleugenol has also been used as an insect attractant in eradication programs and as an anesthetic in rodents. Methyleugenol was nominated for testing because of its widespread use and because of its structural resemblance to safrole, a known carcinogen, and isosafrole and estragole. Male and female F344/N rats and B6C3F1 mice received methyleugenol (approximately 99% pure) in 0.5% methylcellulose by gavage for 14 weeks or 2 years. Genetic toxicology studies were conducted in Salmonella typhimurium, cultured Chinese hamster ovary cells, and mouse peripheral blood erythrocytes. 14-WEEK STUDY IN RATS: Groups of 9 or 10 male and 10 female F344/N rats were administered 0, 10, 30, 100, 300, or 1,000 mg methyleugenol/kg body weight in 0.5% methylcellulose by gavage 5 days per week for 14 weeks. A water control group of 10 male and 10 female rats received deionized water by gavage. All rats survived until the end of the study. The final mean body weights of 300 and 1,000 mg/kg males and of all dosed groups of females were significantly less than those of the vehicle controls. Erythrocyte microcytosis was demonstrated by decreased mean cell volumes in 300 mg/kg males and 1,000 mg/kg males and females. There was evidence of a thrombocytosis at all time points, demonstrated by increased platelet counts in the 100 mg/kg or greater groups. The serum activities of alanine aminotransferase and sorbitol dehydrogenase were increased in the 100 mg/kg or greater rats at various time points, suggesting hepatocellular injury. Additionally, bile acid concentrations were generally increased in the 300 and 1,000 mg/kg groups at all time points, consistent with cholestasis or altered hepatic function. A hypoproteinemia and hypoalbuminemia, evidenced by decreased total protein and albumin concentrations, occurred in rats in the 300 and 1,000 mg/kg groups at all time points. Liver weights of 100, 300, and 1,000 mg/kg males and 300 and 1,000 mg/kg females and testis weights of 1,000 mg/kg males were significantly increased. Increased incidences of liver lesions occurred in 300 and 1,000 mg/kg males and females and hepatocellular adenoma occurred in one 1,000 mg/kg male. The incidences of atrophy and chronic inflammation of the mucosa of the glandular stomach were significantly increased in rats administered 300 or 1,000 mg/kg. Increased incidences of adrenal gland cortical hypertrophy and/or cytoplasmic alteration in the submandibular gland occurred in the 100 mg/kg or greater groups. 14-WEEK STUDY IN MICE: Groups of 10 male and 10 female B6C3F1 mice received methyleugenol in 0.5% methylcellulose by gavage at doses of 0, 10, 30, 100, 300, or 1,000 mg/kg, 5 days per week for 14 weeks. A water control group of 10 male and 10 female mice received deionized water by gavage. All but one male and all females receiving 1,000 mg/kg died before the end of the study. The mean body weight gains of mice in the 300 mg/kg groups were significantly less than those of the vehicle controls. The only clinical finding was toxicity manifested as generalized morbidity in mice administered 1,000 mg/kg. Liver weights of 30, 100, and 300 mg/kg males and of 300 mg/kg females were significantly increased. Male mice administered 10 or 30 mg/kg had significantly lower cauda epididymis, epididymis, and testis weights; males receiving 100 mg/kg had significantly lower spermatozoal concentrations. Increased incidences of liver lesions occurred in 1,000 mg/kg males and 300 and 1,000 mg/kg females. The incidences of lesions of the glandular stomach were increased in one or more groups administered 30 mg/kg or greater. 2-YEAR STUDY IN RATS: Groups of 50 male and 50 female rats received methyleugenol in 0.5% methylcellulose by gavage at doses of 37, 75, or 150 mg/kg, 5 days per week for 105 weeks; groups of 60 male and 60 female rats received the 0.5% me60 female rats received the 0.5% methylcellulose vehicle only. Stop-exposure groups of 60 male and 60 female rats received 300 mg/kg in 0.5% methylcellulose by gavage for 52 weeks followed by just the 0.5% methylcellulose vehicle for the remaining 53 weeks of the study. Special study groups of 10 male and 10 female rats administered 36, 75, 150, or 300 mg/kg were designated for toxicokinetic studies. Survival and Body Weights: All 150 and 300 mg/kg males died before the end of the study, and survival of 150 mg/kg females was slightly less than that of the vehicle controls. Mean body weights of all dosed groups of rats were less than those of the vehicle controls throughout most of the 2-year study. Pathology Findings: Chemical-related liver neoplasms occurred in all dosed groups of rats and included hepatocellular adenoma, hepatocellular carcinoma, hepatocholangioma, and hepatocholangiocarcinoma; at 2 years, there were positive trends in the incidences of hepatocellular adenoma, carcinoma, and adenoma or carcinoma (combined) in core study rats and in the numbers of rats with multiple liver neoplasms. Nonneoplastic lesions included eosinophilic and mixed cell foci, hepatocellular hypertrophy, oval cell hyperplasia, cystic degeneration, and bile duct hyperplasia (females); the incidences of these lesions in dosed groups of male and female rats were increased at 6 months, 12 months, and/or 2 years. Chemical-related neoplasms and nonneoplastic lesions of the glandular stomach included benign and malignant neuroendocrine tumors in the 150 and 300 mg/kg groups and females in the 75 mg/kg group. In all dosed groups of rats at all time points, the incidences of mucosal atrophy were significantly greater than in the vehicle controls. Neuroendocrine cell hyperplasia was observed in females at 6 months and males and females at 12 months and at 2 years. In core study female rats, there was a positive trend in the incidences of squamous cell papilloma or carcinoma (combined) of the forestomach, and the incidence in the 150 mg/kg group exceeded the historical control range. The incidences of renal tubule proliferative lesions in male rats were suggestive of a neoplastic effect in the kidney. Therefore, additional step sections of the kidneys of male rats were prepared. The incidences of renal tubule hyperplasia and adenoma in the extended evaluation and the combined incidences of standard and step sections in the 75, 150, and 300 mg/kg groups were greater than those in the vehicle controls. The incidences of nephropathy were increased in all dosed groups of females, and the increase was significant in the 300 mg/kg group. In dosed groups of male rats, there was a positive trend in the incidences of malignant mesothelioma, and the incidences were significantly greater in 150 and 300 mg/kg males than in the vehicle controls. The incidences of mammary gland fibroadenoma in 75 and 150 mg/kg males were significantly increased. The incidences of fibroma of the subcutaneous tissue in 37 and 75 mg/kg males and the combined incidences of fibroma or fibrosarcoma in 37, 75, and 150 mg/kg males were significantly increased. 2-YEAR STUDY IN MICE: Groups of 50 male and 50 female mice received methyleugenol in 0.5% methylcellulose by gavage at doses of 0, 37, 75, or 150 mg/kg for 105 weeks. Special study groups of 10 male and 10 female mice administered 37, 75, or 150 mg/kg were designated for toxicokinetic studies. Survival and Body Weights: Survival of all dosed groups of male mice was similar to that of the vehicle controls. Survival of dosed groups of females was significantly less. Mean body weights of dosed mice were generally less than those of the vehicle controls throughout the studies. Pathology Findings: Chemical-related increases in the incidences of liver neoplasms and nonneoplastic lesions in mice included hepatocellular adenoma and carcinoma, hepatoblastoma, hepatocholangiocarcinoma, eosinophilic foci, oval cell hyperplasia, bile duct hyperplasia, hemosiderin pigmentation, chronic active inflammation, and hematopoietic cell proliferation. In all dosed groups ofmales and females, the incidences of hepatocellular neoplasms and the multiplicity of neoplasms were generally greater than in the vehicle controls. The incidences of hepatoblastoma were significantly increased in all dosed groups of females and slightly increased in 150 mg/kg males. Hepatocholangiocarcinoma was observed in 150 mg/kg females. The incidences of eosinophilic foci, oval cell hyperplasia, portal hypertrophy, hepatocyte necrosis, hematopoietic cell proliferation, bile duct hyperplasia, and hemosiderin pigmentation were significantly increased in two or more dosed groups of male and/or female mice. The incidences of glandular ectasia, mucosal atrophy, chronic active inflammation, epithelial hyperplasia, and neuroendocrine cell hyperplasia of the glandular stomach were increased in one or more dosed groups of male and female mice. In addition, malignant neuroendocrine tumors were observed in the glandular stomach of two 150 mg/kg male mice; one male in this group had a carcinoma. TOXICOKINETIC STUDIES: Methyleugenol is rapidly absorbed following oral administration to rats and mice. The kinetic data are consistent with rapid clearance from the blood, metabolism in the liver, and excretion of the parent and various metabolites in the urine. GENETIC TOXICOLOGY: Methyleugenol was not mutagenic in S. typhimurium strain TA98, TA100, TA1535, or TA1537, with or without exogenous metabolic activation (S9). In cytogenetic tests with cultured Chinese hamster ovary cells, methyleugenol induced sister chromatid exchanges in the presence of S9, but no induction of chromosomal aberrations was noted in cultured Chinese hamster ovary cells following exposure to methyleugenol, with or without S9. In vivo, no increase in the frequency of micronucleated normochromatic erythrocytes was seen in male or female mice administered methyleugenol by gavage for 14 weeks. PHYSIOLOGICALLY BASED PHARMACOKINETIC MODEL: A physiologically based pharmacokinetic (PBPK) model resulting from intravenous and oral exposure was created to characterize tissue concentrations of methyleugenol in rats and mice. Data used to create the model were obtained from the literature or from current studies. The primary conclusions that can be reached from the PBPK model are: 1) absorption of oral doses of methyleugenol in rats and mice is rapid and complete, 2) distribution of methyleugenol to tissues is not hampered by capillary permeability, and 3) metabolism of methyleugenol is saturable and must have some extrahepatic component in the mouse. Model-based plasma methyleugenol concentrations were not found to be good dosimeters for evaluating neoplasm dose-response data. CONCLUSIONS: Under the conditions of these 2-year gavage studies, there was clear evidence of carcinogenic activity of methyleugenol in male and female F344/N rats based on the increased incidences of liver neoplasms and neuroendocrine tumors of the glandular stomach in male and female rats and the increased incidences of kidney neoplasms, malignant mesothelioma, mammary gland fibroadenoma, and subcutaneous fibroma and fibroma or fibrosarcoma (combined) in male rats. A marginal increase in the incidence of squamous cell neoplasms of the forestomach may have been related to methyleugenol administration in female rats. There was clear evidence of carcinogenic activity of methyleugenol in male and female B6C3F1 mice based on the increased incidences of liver neoplasms. Neuroendocrine tumors of the glandular stomach in male mice were also considered related to methyleugenol administration. In male and female rats and mice, methyleugenol administration caused significant increases in nonneoplastic lesions of the liver and glandular stomach. Synonyms: 1-Allyl-1,2-dimethoxybenzene; 4-allylveratrole; 4-allyl-1,2-dimethoxy-benzene; 1,2-dimethoxy-4-allylbenzene; 3,4-dimethoxyallylbenzene; ENT 21040; 1-(3,4-dimethoxyphenyl)-2-propene; eugenol methyl ether; 1,3,4-eugenol methyl ether; veratrole methyl ether.

Journal Article↗

[Mutagenicity of the metabolites of the epoxide-diol pathway of safrole and its analogs. Study on Salmonella typhimurium].

Mutagenicity of the metabolites of the expoxide-diol pathway of safrole and analogues was studied on Ames' strains with Ames' method. Safrole, eugenol, eugenolmethylether, estragol, allylbenzene and 1'-hydroxysafrole, are not mutagen on TA 1535, TA 100 (point mutation) and TA 1537, TA 1538, TA 98 (frameshift mutations) without activation system. The corresponding epoxides that we have synthetized, are mutagens and inducers of point mutation in TA 1535 and TA 100. Dose-effect curves show differences between the mutagen efficiencies of these epoxides probably in relation with their electrophilic properties. On the other hand the 2', 3'-dihydro-2',3'-dihydroxisafrole was not mutagen in Ames' test. These results confirm the promutagen character of safrole and analogues and the role of the epoxides as proximate carcinogens.

Carcinogens↗

Major role of hepatic sulfotransferase activity in the metabolic activation, DNA adduct formation, and carcinogenicity of 1'-hydroxy-2',3'-dehydroestragole in infant male C57BL/6J x C3H/HeJ F1 mice.

1'-Hydroxy-2',3'-dehydroestragole is a synthetic acetylenic analogue of 1'-hydroxyestragole, the proximate carcinogenic metabolite of the naturally occurring hepatocarcinogen estragole (1-allyl-4-methoxybenzene). This analogue is considerably more potent than 1'-hydroxyestragole as an hepatocarcinogen in mice. 1'-Acetoxy-2',3'-dehydroestragole reacted readily with deoxyguanosine or deoxyguanosine 5'-monophosphate at neutrality to form two adducts. Adduct I, isolated and characterized after dephosphorylation of the deoxyguanosine 5'-monophosphate product, was a 1:1 mixture of two diastereomers of N2-(2',3'-dehydroestragol-1'-yl)deoxyguanosine. Adduct II was shown to be N-7-(2',3'-dehydroestragol-1'-yl)guanine. The reaction of deoxyadenosine with 1'-acetoxy-2',3'-dehydroestragole at neutrality produced Adducts III and IV. Adduct IV was characterized as N6-(2',3'-dehydroestragol-1'-yl)deoxyadenosine. Administration of [1'-3H]-1'-hydroxy-2',3'-dehydroestragole to male preweanling C57BL/6J x C3H/HeJ F1 (hereafter called B6C3F1) mice resulted in extensive covalent binding to hepatic DNA, RNA, and protein. On hydrolysis of the DNA to nucleosides, a single major adduct accounted for greater than 85% of the DNA-bound 3H. This adduct comigrated with Adduct I in two high performance liquid chromatography systems, had a pH partition profile identical to that of Adduct I, and was present as a mixture of diastereomers in a ratio of 2:1. The identity of the DNA adduct formed in vivo with Adduct I from the reaction of 1'-acetoxydehydroestragole indicated that a reactive ester was a major metabolic precursor in vivo. There was no significant loss of Adduct I from the hepatic DNA by 21 days after a single injection of a carcinogenic dose of 1'-hydroxy-2',3'-dehydroestragole. Adducts II, III, and IV were not detected in significant amounts in the hepatic DNA isolated by a phenol extraction method or by a more rapid hydroxylapatite method. Cytosolic sulfotransferase activity was demonstrated for 1-hydroxy-2',3'-dehydroestragole in mouse liver, and inhibition of this activity by greater than 95% was found on addition of 10 microM pentachlorophenol. The administration of pentachlorophenol (0.04 mumol/g body weight) 45 min prior to a single dose of 1'-hydroxy-2',3'-dehydroestragole (0.04 mumol/g body weight) in 12-day-old male B6C3F1 mice greatly inhibited (87-97%) the covalent binding of 1'-hydroxy-2',3'-dehydroestragole to hepatic macromolecules and the formation of hepatomas at 10 months.(ABSTRACT TRUNCATED AT 400 WORDS)

Animals↗

Further characterization of the DNA adducts formed by electrophilic esters of the hepatocarcinogens 1'-hydroxysafrole and 1'-hydroxyestragole in vitro and in mouse liver in vivo, including new adducts at C-8 and N-7 of guanine residues.

The identities of the adducts formed on reaction of the model electrophilic and carcinogenic esters 1'-acetoxysafrole or 1'-acetoxyestragole with deoxyguanosine in vitro and those formed in vivo in the hepatic DNA of 12-day-old male C57BL/6 X C3H/He F1 (hereafter called B6C3F1) mice treated with 1'-hydroxysafrole or 1'-acetoxysafrole were investigated further with more discriminating high-performance liquid chromatography systems than previously used. The adducts formed from the reactions of 1'-acetoxysafrole or 1'-acetoxyestragole are strictly analogous and are distinguished by the prefixes S and E, respectively. Five adducts, including S(E)-II identified by Phillips et al. (Cancer Res., 41: 176-186, 2664-2671, 1981) as N2-(trans-isosafrol-3'-yl)deoxyguanosine and the analogous isoestragole derivative, have been characterized from the reactions with each ester. Adducts S-I and E-I, tentatively identified by Phillips et al. as N2-(safrol-1'-yl)- or N2-(estragol-1'-yl)deoxyguanosine, were each resolved into a pair of diastereomers. The proposed structures for each diastereomer were confirmed by nuclear magnetic resonance and circular dichroism spectroscopy. Two new adducts, i.e., S(E)-V and S(E)-VI, were isolated from each reaction mixture. On the basis of their pKas, their loss of 3H from [8-3H]deoxyguanosine, their retention of 3H from [1',2'-3H]deoxyguanosine, and their nuclear magnetic resonance spectra, Adducts S-V and E-V were characterized as 8-(trans-isosafrol-3'-yl)- and 8-(trans-isoestragol-3'-yl)deoxyguanosine, respectively. Adducts S-VI and E-VI were characterized in a similar manner as 7-(trans-isosafrol-3'-yl)- and 7-(trans-isoestragol-3'-yl)guanine, respectively. Adducts S-III and E-III, minor components described in the earlier studies, were not observed in the present work. High-performance liquid chromatography of hydrolysates of the hepatic DNA of male 12-day-old B6C3F1 mice killed 9 h after a single dose (0.1 mumol/g body weight) of [2',3'-3H]-1'-hydroxysafrole showed that Adducts S-Ia, S-Ib, S-II, S-IV (identified by Phillips et al. as N6-(trans-isosafrol-3'-yl)deoxyadenosine), S-V, and S-VI were present at average levels of 3.5, 7.0, 24.4, 2.9, 1.2, and 3.6 pmol/mg DNA, respectively. Similar levels of these adducts were found in the hepatic DNA after administration of the same dose of [2',3'-3H]-1'-acetoxysafrole under identical conditions.

Animals↗

Methyl chavicol.

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Allylbenzene Derivatives↗