(4aR,6aS,7aR,10aR,11aS,11bS)-Dodecahydro-7a-methyl-1H-cyclopenta[b]phenanthrene-3,8(2H,4H)-dione

• 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: (4aR,6aS,7aR,10aR,11aS,11bS)-Dodecahydro-7a-methyl-1H-cyclopenta[b]phenanthrene-3,8(2H,4H)-dione
• 英文别名: (4aR,6aS,7aR,10aR,11aS,11bS)-7a-methyl-1,2,4,4a,5,6,6a,7,9,10,10a,11,11a,11b-tetradecahydrocyclopenta[b]phenanthrene-3,8-dione
• 化学式: C₁₈H₂₆O₂
• 分子量: 274.403
• InChiKey: BLOWEPFFQRPMDH-MHBGKGBRSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  20
• 可旋转键数：
  0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.89
• 拓扑面积：
  34.1
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  (4aR,6aS,7aR,10aR,11aS,11bS)-Dodecahydro-7a-methyl-1H-cyclopenta[b]phenanthrene-3,8(2H,4H)-dione 在 盐酸 、 potassium tert-butylate 作用下， 以 四氢呋喃 、 水 为溶剂， 生成 (2'R,3R,4aR,6aS,7aR,10aR,11aS,11bS)-Hexadecahydro-7a-methyl-Spiro[8H-cyclopenta[b]phenanthrene-8,2'-oxiran]-3-ol
  参考文献：
  名称：

  US2014/256805

  摘要：

  公开号：
• 作为产物：
  描述：

  (6aS,7aR,8R,10aR,11aS,11bR)-1,2,5,6,6a,7,7a,8,9,10,10a,11,11a,11b-Tetradecahydro-8-hydroxy-7a-methyl-3H-cyclopenta[b]phenanthren-3-one 以 吡啶 、 氘代丙酮 为溶剂， 生成 (4aR,6aS,7aR,10aR,11aS,11bS)-Dodecahydro-7a-methyl-1H-cyclopenta[b]phenanthrene-3,8(2H,4H)-dione
  参考文献：
  名称：

  US2014/256805

  摘要：

  公开号：

文献信息

• Neuroactive substituted cyclopenta[b]phenanthrenes as modulators for GABA type-A receptors
  申请人：Washington University

  公开号：US09365502B2

  公开（公告）日：2016-06-14

  The present disclosure is generally directed to neuroactive substituted cyclopenta[b]phenanthrenes as referenced herein, and pharmaceutically acceptable salts thereof, for use as, for example, an anesthetic, and/or in the treatment of disorders relating to GABA function and activity. The present disclosure is further directed to pharmaceutical compositions comprising such compounds.

  本公开涵盖了神经活性的取代环戊[b]菲的化合物以及其药学上可接受的盐，例如用作麻醉剂，和/或用于治疗与GABA功能和活性有关的疾病。本公开还涉及包含这些化合物的药物组合物。
• US20140256805A1
  申请人：——

  公开号：——

  公开（公告）日：——
• NEUROACTIVE SUBSTITUTED CYCLOPENTA[b]PHENANTHRENES AS MODULATORS FOR GABA TYPE-A RECEPTORS
  申请人：Washington University

  公开号：US20160326127A1

  公开（公告）日：2016-11-10

  The present disclosure is generally directed to neuroactive substituted cyclopenta[b]phenanthrenes as referenced herein, and pharmaceutically acceptable salts thereof, for use as, for example, an anesthetic, and/or in the treatment of disorders relating to GABA function and activity. The present disclosure is further directed to pharmaceutical compositions comprising such compounds.
• US9365502B2
  申请人：——

  公开号：US9365502B2

  公开（公告）日：2016-06-14
• US2014/256805
  申请人：——

  公开号：——

  公开（公告）日：——