2,2-Bis[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-(4-fluorophenyl)ethanone | 419574-40-6

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 2,2-Bis[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-1-(4-fluorophenyl)ethanone
• CAS: 419574-40-6
• 化学式: C₂₈H₁₉F₁₃O₃
• 分子量: 650.4
• InChiKey: RPMWPNRBDYOLOT-ZIAGYGMSSA-N

物化性质

• 沸点：
  459.6±45.0 °C(Predicted)
• 密度：
  1.410±0.06 g/cm3(Predicted)
• 溶解度：
  可溶于氯仿、甲氧基

计算性质

• 辛醇/水分配系数(LogP)：
  8.9
• 重原子数：
  44
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  35.5
• 氢给体数：
  0
• 氢受体数：
  16

文献信息

• Mammalian metabolites of a tachykinin receptor antagonist
  申请人：——

  公开号：US20040023960A1

  公开（公告）日：2004-02-05

  This invention is concerned with mammalian metabolites of the compound 2-(R)-(1-(R)-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(S)-(4-fluoro)-phenyl-4-(3-(5-oxo-1H,4H-1,2,4-triazolo)methylmorpholine which is a tachykinin receptor antagonist that is useful in the prevention and treatment of certain disorders, including emesis and psychiatric disorders such as depression and anxiety.

  这项发明涉及化合物2-(R)-(1-(R)-(3,5-双三氟甲基苯基)乙氧基)-3-(S)-(4-氟苯基)-4-(3-(5-氧代-1H,4H-1,2,4-三唑基)甲基吗啡啶的哺乳动物代谢产物。该化合物是一种缓释激肽受体拮抗剂，可用于预防和治疗某些疾病，包括呕吐和精神障碍，如抑郁症和焦虑症。
• MAMMALIAN METABOLITES OF A TACHYKININ RECEPTOR ANTAGONIST
  申请人：Merck & Co., Inc.

  公开号：EP1331936A2

  公开（公告）日：2003-08-06
• US6727244B2
  申请人：——

  公开号：US6727244B2

  公开（公告）日：2004-04-27
• [EN] MAMMALIAN METABOLITES OF A TACHYKININ RECEPTOR ANTAGONIST<br/>[FR] METABOLITES MAMMIFERES D'UN ANTAGONISTE DU RECEPTEUR DE LA TACHYKININE
  申请人：MERCK & CO INC

  公开号：WO2002034699A2

  公开（公告）日：2002-05-02

  This invention is concerned with mammalian metabolites of the compound 2-(R)-(1-(R)-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(S)-(4-fluoro)-phenyl-4-(3-(5-oxo-1H,4H-1,2,4-triazolo)methylmorpholine which is a tachykinin receptor antagonist that is useful in the prevention and treatment of certain disorders, including emesis and psychiatric disorders such as depression and anxiety.