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PubMed2004

1,3-Bis[2-(2-hydroxybenzylideneamino)phenoxy]propane.

The title compound [systematic name: 2,2'-[1,3-propanediyldioxydi-o-phenylenebis(nitrilomethylidyne)]diphenol], C(29)H(26)N(2)O(4), exists as the phenol-imine form in the crystal, and there are strong intramolecular O-H...N hydrogen bonds, with O...N distances of 2.545 (2) and 2.579 (2) A. The C=N imine bond distances are in the range 1.276 (2)-1.279 (2) A and the C=N-C bond angles are in the range 123.05 (16)-124.64 (17) degrees . The configurations about the C=N bonds are anti (1E).

Journal Article↗
PubMed2005

threo-2-(2,6-dimethoxyphenoxy)-1-(4-hydroxy-3,5-dimethoxyphenyl)propane-1,3-diol: a conformational study.

In the crystal structure of the title compound, C19H24O8, the molecules adopt a conformation in which the bulky 2,6-dimethoxyphenoxy and 4-hydroxy-3,5-dimethoxyphenyl groups are almost as far apart as possible. The C(aryl)...C(aryl) distance is 4.8766 (19) A, which is close to the calculated maximum value (4.92 A). The C(aryl)-C-C-O(aryloxy) torsion angle is 173.76 (11) degrees and the C(benzylic)-C-O-C(aryl) torsion angle is 149.09 (11) degrees. The conformation is compared with those of related lignin model compounds. The hydrogen-bonding pattern is discussed in terms of graph-set theory.

Crystallography, X-Ray↗
PubMed2006

Poly[propane-1,3-diyldiammonium tetra-mu-selenito-trizinc dihydrate].

The title compound, (C3H12N2)[Zn3(SeO3)4].2H2O, is built up from organic cations, {[Zn3(SeO3)4]2-}n macroanionic sheets and water molecules. The inorganic component of the structure is notable for incorporating both octahedrally and tetrahedrally coordinated Zn atoms. A network of N-H...O and O-H...O hydrogen bonds helps to establish the layered structure. The six-coordinate Zn atom has site symmetry 1, and one C and the two water O atoms have site symmetry m.

Journal Article↗
PubMed1989

Structures of three DNA cross-linking agents, ethane-1,2-di(methylsulfonate), propane-1,3-di(methylsulfonate) and n-butane-1,4-di(methylsulfonate).

(I): C4H10O6S2, Mr = 218.25, P2(1)/c, a = 7.2611 (9), b = 5.8726 (4), c = 10.6628 (19) A, beta = 103.95 (1) degree, V = 441.3 (2) A3, Z = 2, Dm = 1.65, Dx = 1.642 Mg m-3, lambda(Cu K alpha) = 1.54184 A, mu = 5.43 mm-1, F(000) = 228, R = 0.0336 and wR = 0.0346 for 745 unique reflections with F greater than or equal to 3 sigma (F), T = 298 K. (II): C5H12O6S2, Mr = 232.28, P2(1)/c, a = 11.030 (1), b = 8.452 (1), c = 11.162 (1) A, beta = 104.65 (1) degree, V = 1006.8 (3) A3, Z = 4, Dm 1.54, Dx = 1.532 Mg m-3, lambda(Cu K alpha) = 1.54184 A, mu = 4.79 mm-1, F(000) = 488, R = 0.0418 and wR = 0.0430 for 1666 unique reflections with F greater than or equal to 3 sigma(F), T = 298 K. (III): C6H14O6S2, Mr = 246.30, P1, a = 5.6147 (9), b = 6.8343 (6), c = 7.5434 (6) A, alpha = 110.61 (1), beta = 92.08 (1), gamma = 76.15 (1) degree, V = 262.7 (3) A3, Z = 1, Dm = 1.56, Dx = 1.557 Mg m-3, lambda(Cu K alpha) = 1.54184 A, mu = 4.79 mm-1, F(000) = 130, R = 0.0397 and wR = 0.0425 for 907 unique reflections with F greater than or equal to 3 sigma(F), T = 298 K. All three compounds have a common conformation in the C.O.SO2.CH3 part of the molecules due to weak O...H interactions. Compounds (I) and (III) have a trans conformation about the central C--C bond, whereas (II) is cis.

Busulfan↗
PubMed1978

A comparison of the binding constant (KD) of 125I-labelled 3-(4-iodophenoxy)-1-isopropylamino-propan-2-ol obtained on beta-adrenoceptors in guinea-pig myocardial membranes, with its dissociation constants (KB) obtained on guinea-pig isolated atria and trachea.

The dissociation constant of binding (KD) of 125I-labelled 3-(4-iodophenoxy)-1-isoproplyaminopropan-2-ol (IIP) to guinea-pig myocardial membrane preparations was 2.2 x 10-8M. In pharmacological experiments with the non-labelled material and 60 min contact time, IIP produced a parallel shift in the orciprenaline concentration-response line on guinea-pig isolated tracheal and atrial preparations. The dissociation constant (KB) of IIP was 2.9 x 10-8M on atria (pA2 7.54) and 3.3 x 10-8M on trachea (pA2 7-48). These values indicate that IIP is not a selective beta-adrenoceptor blocking drug. In addition, agreement was found between the affinity constant of this antagonist for beta-adrenoceptors as determined by a direct binding study and an indirect pharmacological study.

Adrenergic beta-Antagonists↗
PubMed1994

Mercury kinetics in a case of severe mercuric chloride poisoning treated with dimercapto-1-propane sulphonate (DMPS).

A case of severe mercuric chloride poisoning with clinical signs of mucosal damage of the gastrointestinal tract and anuric renal failure, is presented. The initial whole blood mercury concentration was 14,300 micrograms l-1. This concentration is supposed to be associated with fatal outcome due to multiple organ failure. Because of anuric renal failure, haemodialysis was necessary. Kidney function returned to normal within 10 days. Haemodialysis proved to be ineffective with regard to total mercury elimination. Treatment with DMPS was started because of very severe poisoning, anuric renal failure and optimistic reports on the "new" chelating agent 2,3-dimercapto-1 propanesulphonic acid (DMPS) in mercury poisoning. DMPS was administered by parenteral route initially and was continued thereafter by oral route, until whole blood and urine mercury concentrations had decreased below a level considered as toxic. Except for a temporary pruritic erythema of the skin, no side effects of DMPS treatment were observed. The clinical course was mild, despite continuing high whole blood mercury concentrations. Recovery was uneventful and complete. DMPS treatment, administered by intravenous and oral route, was shown to be an effective alternative for BAL in life-threatening mercuric chloride intoxication. The pharmacokinetic data presented in this case report suggest that non-renal mercury clearance may considerably exceed renal mercury clearance.

Adult↗
PubMed2000

Disposition of orally administered 2,2-Bis(4-hydroxyphenyl)propane (Bisphenol A) in pregnant rats and the placental transfer to fetuses.

We studied the disposition of bisphenol A (BPA) in pregnant female F344/DuCrj(Fischer) rats and its placental transfer to fetuses after a single oral administration of 1 g/kg BPA dissolved in propylene glycol. BPA in maternal blood, liver, and kidney reached maximal concentrations (14.7, 171, and 36 microg/g) 20 min after the administration and gradually decreased. The levels were 2-5% of the maximum 6 hr after the administration. The maximal concentration of BPA in fetuses (9 microg/g) was also attained 20 min after the administration. BPA levels then gradually reduced in a similar manner to maternal blood. These results suggest that the absorption and distribution of BPA in maternal organs and fetuses are extremely rapid and that the placenta does not act as a barrier to BPA.

Absorption↗