(7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(8R,9S,10R,13S,14S)-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 蒽环类药物
• 英文名称: (7S,9S)-7-[(2R,4S,5R,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-9-(2-hydroxyacetyl)-4-methoxy-8,10-dihydro-7H-tetracene-5,12-dione;(8R,9S,10R,13S,14S)-10,13-dimethyl-6-methylidene-7,8,9,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-3,17-dione
• 化学式: C47H53NO13
• 分子量: 839.9
• InChiKey: GACYOJRTGFXFEG-UQTHBNDLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.03
• 重原子数：
  61
• 可旋转键数：
  5
• 环数：
  9.0
• sp3杂化的碳原子比例：
  0.51
• 拓扑面积：
  240
• 氢给体数：
  6
• 氢受体数：
  14

文献信息

• COMBINED METHOD OF TREATMENT COMPRISING AN AROMATASE INHIBITOR AND A FURTHER BIOLOGICALLY ACTIVE COMPOUND
  申请人：PHARMACIA & UPJOHN S.p.A.

  公开号：EP1178831A1

  公开（公告）日：2002-02-13
• [EN] COMBINED METHOD OF TREATMENT COMPRISING AN AROMATASE INHIBITOR AND A FURTHER BIOLOGICALLY ACTIVE COMPOUND<br/>[FR] METHODE DE TRAITEMENT COMBINEE METTANT EN OEUVRE UN INHIBITEUR D'AROMATASE ET UN AUTRE COMPOSE BIOLOGIQUEMENT ACTIF
  申请人：PHARMACIA & UPJOHN SPA

  公开号：WO2000069467A1

  公开（公告）日：2000-11-23

  A composition for use in breast cancer therapy in humans comprising, in amounts effective to produce a superadditive antitumour effect: (a) an antineoplastic agent in a pharmaceutically acceptable carrier and/or diluent, and (b) an aromatase inhibitor in a pharmaceutically acceptable carrier and/or diluent.