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787621-78-7

787621-78-7 Structure

787621-78-7 Structure
IdentificationBack Directory
[Name]

Cyclopenta[c][1]benzopyran-8-ol, 2,2-difluoro-1,2,3,3a,4,9b-hexahydro-4-(4-hydroxyphenyl)-, (3aS,4R,9bR)-
[CAS]

787621-78-7
[Synonyms]

Estrogen receptor modulator 6
Cyclopenta[c][1]benzopyran-8-ol, 2,2-difluoro-1,2,3,3a,4,9b-hexahydro-4-(4-hydroxyphenyl)-, (3aS,4R,9bR)-
[Molecular Formula]

C18H16F2O3
[MOL File]

787621-78-7.mol
[Molecular Weight]

318.31
Chemical PropertiesBack Directory
[Boiling point ]

487.1±45.0 °C(Predicted)
[density ]

1.42±0.1 g/cm3(Predicted)
[pka]

9.79±0.30(Predicted)
Hazard InformationBack Directory
[Uses]

Estrogen receptor modulator 6 (compound 3a) is a selective estrogen receptor (ER) β agonist (Ki=0.44 nM). Estrogen receptor modulator 6 displays 19-fold selectivity for ERβ over ERα(Ki=8.4 nM)[1].
[IC 50]

ERβ: 0.44 nM (Ki); ERα: 8.4 nM (Ki)
[References]

[1] Richardson TI, et al. Benzopyrans as selective estrogen receptor beta agonists (SERBAs). Part 5: Combined A- and C-ring structure-activity relationship studies. Bioorg Med Chem Lett. 2007;17(20):5563-5566. DOI:10.1016/j.bmcl.2007.08.009
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