(8S,13S,17S)-3-methoxy-8,13-dimethyl-7,12,14,15,16,17-hexahydro-6H-cyclopenta[a]phenanthren-17-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: (8S,13S,17S)-3-methoxy-8,13-dimethyl-7,12,14,15,16,17-hexahydro-6H-cyclopenta[a]phenanthren-17-ol
• 化学式: C₂₀H₂₆O₂
• 分子量: 298.4
• InChiKey: DPYJSVBPRMTHDB-NXEWRWPSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  22
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.6
• 拓扑面积：
  29.5
• 氢给体数：
  1
• 氢受体数：
  2

文献信息

• 8Beta-Hydrocarbyl-Substituted Estratrienes As Selectively Active Estrogens
  申请人：Peters Olaf

  公开号：US20080182829A1

  公开（公告）日：2008-07-31

  This invention describes the new 8β-substituted estratrienes of general formula I in which R 2 , R 3 , R 6 , R 6′ , R 7 , R 7′ , R 9 , R 11 , R 11′ , R 12 , R 14 , R 15 , R 15′ , R 16 , R 16′ , R 17 , R 17′ have the meanings that are indicated in the description, and R 8 means a straight-chain or branched-chain, optionally partially or completely halogenated alkyl or alkenyl radical with up to 5 carbon atoms, an ethinyl- or prop-1-inyl radical, as pharmaceutical active ingredients that have in vitro a higher affinity to estrogen receptor preparations of rat prostates than to estrogen receptor preparations of rat uteri and in vivo preferably a preferential action on bone rather than the uterus and/or a pronounced action with respect to stimulation of the expression of 5HT2a-receptors and 5HT2a-transporters, their production, their therapeutic use and pharmaceutical dispensing forms that contain the new compounds. The invention also describes the use of these compounds for treatment of estrogen-deficiency-induced diseases and conditions as well as the use of an 8β-substituted estratriene structural part in the total structures of compounds that have a dissociation in favor of their estrogenic action on bones rather than the uterus.

  本发明描述了一种新的8β-取代的雌三烯酮通式I，其中R2、R3、R6、R6′、R7、R7′、R9、R11、R11′、R12、R14、R15、R15′、R16、R16′、R17、R17′具有说明书中所指示的含义，而R8表示直链或支链，可选部分或完全卤代烷基或烯基基团，碳数不超过5个，以太炔基或丙烯基基团，作为具有体外比大鼠前列腺雌激素受体制备亲和力高于大鼠子宫雌激素受体制备的药物活性成分，且在体内优先作用于骨而不是子宫和/或对5HT2a受体和5HT2a转运体的表达刺激具有显著作用，以及它们的生产、治疗用途和包含新化合物的制剂。本发明还描述了这些化合物在治疗雌激素缺乏引起的疾病和病情方面的用途，以及在化合物的总结构中使用8β-取代的雌三烯酮结构部分，以促进它们对骨而不是子宫的雌激素作用的解离。
• US7378404B2
  申请人：——

  公开号：US7378404B2

  公开（公告）日：2008-05-27