GUST, R and SCHONENBERGER, H and RANGE, KJ and KLEMENT, U and SCHNEIDER, M (1993) CRYSTAL-STRUCTURE AND HORMONAL ACTIVITY OF 1,1-BIS(4-HYDROXYPHENYL)-2-PHENYLETHENE. MONATSHEFTE FUR CHEMIE, 124 (11-12). pp. 1181-1193. ISSN 0026-9247,
Full text not available from this repository.Abstract
A complete three-dimensional X-ray crystal structure analysis of 1,1-bis(4-hydroxyphenyl)-2-phenylethene (BHPE) has been carried out. Reflexes were collected at room temperature. After isotropic refinement of F-values by least-squares, R is 0.163. BHPE crystallizes with 8 molecules in a unit cell of monoclinic symmetry, space group C2/c and cell dimensions a = 20.85 1, b = 15.505, C = 10.536 angstrom, beta = 107.54-degrees. The molecule of BHPE is not flat, the aromatic rings are twisted out of the ethene plane with angles of - 30.16-degrees (ring B), - 51.45-degrees (ring C) and - 33.49-degrees (ring A). The bond angle between the 1,1-standing, 4-hydroxy-substituted phenyl rings amounts to 115.3-degrees resulting in a distance between the hydroxy groups of 9.636 angstrom. 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.
| Item Type: | Article |
|---|---|
| Uncontrolled Keywords: | TUMOR-INHIBITING ACTIVITY; ACETOXY-SUBSTITUTED 1,1,2-TRIPHENYLBUT-1-ENES; ESTRADIOL-RECEPTOR AFFINITY; ESTROGEN-RECEPTOR; BINDING; TAMOXIFEN; SITE; 1,1-BIS(4-HYDROXYPHENYL)-2-PHENYLETHENE; X-RAY ANALYSIS; ESTROGENIC AND ANTIESTROGENIC ACTIVITY; ESTROGEN RECEPTOR AFFINITY |
| Depositing User: | Dr. Gernot Deinzer |
| Last Modified: | 19 Oct 2022 08:42 |
| URI: | https://pred.uni-regensburg.de/id/eprint/53698 |
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