Name: AZD9496 maleate
Rating: 5 (10 reviews)

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结构编辑

类似物检索

HIT ID:HIT214322715
Cas No:1639042-28-6
常用名:AZD9496 maleate
IUPAC:(2E)-3-{3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-yl]phenyl}prop-2-enoic acid; (2Z)-but-2-enedioic acid
IUPAC:(2E)-3-{3,5-difluoro-4-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-yl]phenyl}prop-2-enoic acid; (2Z)-but-2-enedioic acid
InChI key:GYRUZXFUFGWTAG-DMSKNVGDSA-N

分子式:C29H29F3N2O6
分子量:558.554
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OC(=O)\C=C/C(O)=O.C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F
SMILES:OC(=O)\C=C/C(O)=O.C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(\C=C\C(O)=O)cc1F

AZD9496 maleate is a highly potent and selective antagonist of the estrogen receptor alpha (ERα), exhibiting an IC50 value of 0.28 nM. This compound, AZD9496 maleate, is an orally bioavailable selective estrogen receptor degrader (SERD).

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