Gust, Ronald and Schönenberger, Helmut and Range, Klaus Juergen and Klement, Ulrich and Schneider, Martin (1993) Crystal structure and hormonal activity of 1,1-bis(4-hydroxyphenyl)-2-phenylethene. Monatshefte für Chemie 124 (11-12), pp. 1181-1193.
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A complete three-dimensional X-ray crystal structure anal. of 1,1-bis(4-hydroxyphenyl)-2-phenylethene (BHPE) has been carried out. After isotropic refinement of F-values by least-squares, R is 0.163. BHPE crystallizes with 8 mols. in a unit cell of monoclinic symmetry, space group C2/c and cell dimensions a = 20.851, b = 15.505, c = 10.536 .ANG., beta = 107.54 Deg. The mol. of BHPE is not flat, the arom. rings are twisted out of the ethene plane with angles of -30.16 Deg (ring B), -51.45 Deg (ring C) and -33.46 Deg (ring A). The bond angle between the 1,1-standing, 4-hydroxy-substituted Ph rings amts. to 115.3 Deg resulting in a distance between the hydroxy groups of 9.636 .ANG.. BHPE proved to be a weak impeded estrogen with minor antiestrogenic potency, though its estrogen receptor affinity is very high (29%, estradiol 100%). A discussion of the influence of the spatial structure of BHPE and related substances on its estrogenic/antiestrogenic and mammary tumor-inhibiting potency is given.
|Additional information (public):||CAN 120:154044 2-4 Mammalian Hormones 66422-18-2 Role: BIOL (Biological study) (crystal structure and antiastrogenic and estrogenic activity of)|
|Institutions:||Chemistry and Pharmacy > Institute of Pharmacy > Retired Professors > Prof. Schönenberger|
|Keywords:||Estrogens Role: BIOL (Biological study) (bis(hydroxyphenyl)phenylethene as) Crystal structure (of bis(hydroxyphenyl)phenylethene) Estrogens Role: BIOL (Biological study) (antiestrogens, bis(hydroxyphenyl)phenylethene as) Receptors Role: BIOL (Biological study) (estrogen, bis(hydroxyphenyl)phenylethene affinity for) Estrogens Role: BIOL (Biological study) (receptors, bis(hydroxyphenyl)phenylethene affinity for) hydroxyphenylphenylethene crystal structure antiestrogen estrogen activity|
|Subjects:||500 Science > 540 Chemistry & allied sciences|
|Refereed:||Yes, this version has been refereed|
|Created at the University of Regensburg:||Yes|
|Deposited On:||10 Nov 2010 12:08|
|Last Modified:||12 Nov 2010 06:20|