[(7R,17R)-17-[2-[2-(diethylamino)ethoxy]ethyl]-7,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfamate | 943344-76-1

• 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: [(7R,17R)-17-[2-[2-(diethylamino)ethoxy]ethyl]-7,13-dimethyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] sulfamate
• CAS: 943344-76-1
• 化学式: C₂₇H₄₄N₂O₄S
• 分子量: 492.7
• InChiKey: ASNNHMZDKNSENI-JPUMNTSPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  34
• 可旋转键数：
  10
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  90.2
• 氢给体数：
  1
• 氢受体数：
  6

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。