(3S,10R,13S)-10,13-Dimethyl-17-[1,2,4]triazol-1-yl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 类固醇和类固醇衍生物
• 英文名称: (3S,10R,13S)-10,13-Dimethyl-17-[1,2,4]triazol-1-yl-2,3,4,7,8,9,10,11,12,13,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
• 英文别名: (3S,10R,13S)-10,13-dimethyl-17-(1,2,4-triazol-1-yl)-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthren-3-ol
• 化学式: C₂₁H₂₉N₃O
• 分子量: 339.5
• InChiKey: CWWOHKJKERHVSH-KJBVPOJVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  25
• 可旋转键数：
  1
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  50.9
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• NOVEL PRODRUGS OF C-17-HETEROARYL STEROIDAL CYP17 INHIBITORS/ANTIANDROGENS: SYNTHESIS, IN VITRO BIOLOGICAL ACTIVITIES, PHARMACOKINETICS AND ANTITUMOR ACTIVITY
  申请人：Njar Vincent C.O.

  公开号：US20110118219A1

  公开（公告）日：2011-05-19

  Prodrugs of steroidal C-17 benzoazoles, pyrimidinoazoles(azabenzoazoles) and diazines. Methods of synthesis are also described, whereby a prodrug group is substituted for a functional group at A ring portion of the ABC ring structure of the steroid. Suitable prodrug groups include amino acid groups, succinate groups, phosphate groups, or sulfamate groups. The prodrugs of the disclosed compounds allow for improved oral bioavailability of the compounds that are inhibitors of human CYP17 enzyme as well as potent antagonists of both wild type and mutant androgen receptors (AR). The compounds and the corresponding prodrugs are useful for the treatment of conditions such as human prostate cancer, breast cancer, and prostate hyperplasia.
• US20140274983A1
  申请人：——

  公开号：US20140274983A1

  公开（公告）日：2014-09-18
• US8785423B2
  申请人：——

  公开号：US8785423B2

  公开（公告）日：2014-07-22
• US9018198B2
  申请人：——

  公开号：US9018198B2

  公开（公告）日：2015-04-28
• US9295679B2
  申请人：——

  公开号：US9295679B2

  公开（公告）日：2016-03-29