(17E)-17-[2-[2-(dimethylamino)ethylsulfanyl]ethylidene]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-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: (17E)-17-[2-[2-(dimethylamino)ethylsulfanyl]ethylidene]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-ol
• 化学式: C₂₄H₃₅NOS
• 分子量: 385.6
• InChiKey: UJMHJNRRYXGJJN-WOJGMQOQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  27
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  48.8
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Novel anti-estrogenic steroids, and associated pharmaceutical compositions and methods of use
  申请人：SRI International

  公开号：EP2305694A2

  公开（公告）日：2011-04-06

  Novel and anti-estrogenic compounds are provided which are useful to treat a variety of disorders, particularly estrogen-dependant disorders. Preferred compounds have 1,3,5-estratiene nucleus, and are substituted at the C-17 or C-11 position with a molecular moiety which renders the compounds effective to competitively block the binding of estrogen to its receptor. Particularly preferred compounds are 17-desoxy-1,3,5-estratienes. Therapeutic methods and pharmaceutical compositions are provided as well.

  本研究提供了新型抗雌激素化合物，可用于治疗各种疾病，特别是雌激素依赖性疾病。优选的化合物具有 1,3,5-雌甾二烯核，并在 C-17 或 C-11 位置被分子基团取代，从而使化合物能够有效地竞争性阻断雌激素与其受体的结合。特别优选的化合物是 17-脱氧-1,3,5-雌甾烯。此外，还提供了治疗方法和药物组合物。