11β-fluoro-7α-[5-(methyl-{3-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]propyl}amino)-pentyl]estra-1,3,5(10)-triene-3-ol-17-one N-oxide | 536975-85-6

• 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: 11β-fluoro-7α-[5-(methyl-{3-[(4,4,5,5,5-pentafluoropentyl)sulfinyl]propyl}amino)-pentyl]estra-1,3,5(10)-triene-3-ol-17-one N-oxide
• 英文别名: 5-[(7R,8S,9S,11S,13S,14S)-11-fluoro-3-hydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-7-yl]-N-methyl-N-[3-(4,4,5,5,5-pentafluoropentylsulfinyl)propyl]pentan-1-amine oxide
• CAS: 536975-85-6
• 化学式: C₃₂H₄₅F₆NO₄S
• 分子量: 653.77
• InChiKey: QDQXNRZSDSCCCI-MHUGVVOOSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.3
• 重原子数：
  44
• 可旋转键数：
  14
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.78
• 拓扑面积：
  91.6
• 氢给体数：
  1
• 氢受体数：
  11

文献信息

• 17alpha-alkyl-17beta-oxy-estratrienes and intermediate products for their production, use of the 17alpha-alkyl-17beta-oxy-estratrienes for the production of pharmaceutical agents as well as pharmaceutical preparations
  申请人：Schering AG

  公开号：US20030191099A1

  公开（公告）日：2003-10-09

  The invention relates to 17&agr;-alkyl-17&bgr;-oxy-estra-1,3,5(10)-trienes that have an antiestrogenic action with general formula I. In addition, the invention also relates to 17-oxo-estra-1,3,5(10)-trienes as well as 17&bgr;-hydroxy-estra-1,3,5(10)-trienes as intermediate products in the production of the estratrienes according to the invention. The invention also relates to the use of 17&agr;-alkyl-17&bgr;-oxy-estratrienes for the production of pharmaceutical agents as well as pharmaceutical preparations that contain at least one 17&agr;-alkyl-17&bgr;-oxy-estratriene as well as at least one pharmaceutically compatible vehicle.

  本发明涉及具有抗雌激素作用的17α-烷基-17β-氧基-雌三烯-1,3,5（10）-烯的一般式I。此外，本发明还涉及17-酮基-雌三烯-1,3,5（10）-烯以及17β-羟基-雌三烯-1,3,5（10）-烯作为制备本发明的雌三烯的中间产物。本发明还涉及使用17α-烷基-17β-氧基-雌三烯-1,3,5（10）-烯制备制药剂以及包含至少一种17α-烷基-17β-氧基-雌三烯和至少一种药学兼容载体的制药制剂。
• THERAPEUTIC TREATMENT-014
  申请人：Wulfing Pia

  公开号：US20090062246A1

  公开（公告）日：2009-03-05

  A combination, comprising N-(3-methoxy-5-methylpyrazin-2-yl)-2-(4-[1,3,4-oxadiazol-2-yl]phenyl)pyridine-3-sulphonamide, or a pharmaceutically acceptable salt thereof, and an aromatase inhibitor or an estrogen receptor down-regulator is described. The combination is expected to be useful in the treatment of cancer.
• US7018994B2
  申请人：——

  公开号：US7018994B2

  公开（公告）日：2006-03-28
• US7538100B2
  申请人：——

  公开号：US7538100B2

  公开（公告）日：2009-05-26