Name: Abiraterone metabolite 1
Rating: 5 (10 reviews)

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HIT ID:HIT212666889
Cas No:1940176-03-3
常用名:Abiraterone metabolite 1
别名:3β-OH-5α-Abi
IUPAC:(3aS,3bR,5aR,7S,9aS,9bS,11aS)-9a,11a-dimethyl-1-(pyridin-3-yl)-3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol
IUPAC:(3aS,3bR,5aR,7S,9aS,9bS,11aS)-9a,11a-dimethyl-1-(pyridin-3-yl)-3H,3aH,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-ol
InChI key:UNJQRCXVHBZVTM-JSIIKIRASA-N

分子式:C24H33NO
分子量:351.534
氢键供体数 (HBD):1
氢键受体数 (HBA):2
LogP:4.3708725
SMILES:[H][C@@]12CC=C(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](O)CC[C@]12C |t:3|
SMILES:[H][C@@]12CC=C(c3cccnc3)[C@@]1(C)CC[C@@]1([H])[C@@]2([H])CC[C@]2([H])C[C@@H](O)CC[C@]12C |t:3|

Abiraterone metabolite 1 is a 5β-reduced metabolite of abiraterone. Abiraterone inhibits CYP17A1, blocks androgen synthesis, and prolongs survival in prostate cancer.

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