(2R,3S)-3-(3,5-bis(trifluoromethyl)benzyloxy)-2-phenylpiperidine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: (2R,3S)-3-(3,5-bis(trifluoromethyl)benzyloxy)-2-phenylpiperidine
• 英文别名: trans-3-((3,5-bis(trifluoromethyl)phenyl)methyloxy)-2-phenylpiperidine；(2R,3S)-3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-piperidine；(2R,3S)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine
• 化学式: C₂₀H₁₉F₆NO
• 分子量: 403.367
• InChiKey: FCDRFVCGMLUYPG-ZWKOTPCHSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  28
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  21.3
• 氢给体数：
  1
• 氢受体数：
  8

文献信息

• Azacyclic compounds, processes for their preparation and pharmaceutical compositions containing them
  申请人：MERCK SHARP & DOHME LTD.

  公开号：EP0528495A1

  公开（公告）日：1993-02-24

  Compounds of formula (I), and salts and prodrugs thereof wherein    n is 1, 2 or 3;    X represents O or S;    R¹ represents optionally substituted phenyl;    R² represents aryl, heteroaryl, benzhydryl, or benzyl;    R⁴ and R⁵ each independently represent H, halo, CH₂OR⁹, C₁₋₆alkyl, oxo, CO₂R¹⁰ or CONR¹⁰R¹¹;    R⁸ represents H, COR⁹, CO₂R¹⁰ or optionally substituted C₁₋₆alkyl;    R⁹ represents H, C₁₋₆alkyl or phenyl; and    R¹⁰ and R¹¹ each independently represent H or C₁₋₆alkyl; are tachykinin antagonists. They and compositions thereof are useful in medicine.

  式(I)的化合物，以及其盐和前药，其中n为1、2或3；X代表O或S；R¹代表可选取代的苯基；R²代表芳基、杂芳基、苯甲醇或苄基；R⁴和R⁵各自独立地代表H、卤素、CH₂OR⁹、C₁₋₆烷基、氧代、CO₂R¹⁰或CONR¹⁰R¹¹；R⁸代表H、COR⁹、CO₂R¹⁰或可选取代的C₁₋₆烷基；R⁹代表H、C₁₋₆烷基或苯基；而R¹⁰和R¹¹各自独立地代表H或C₁₋₆烷基；它们是缓激肽拮抗剂。它们及其组合物在医学上有用。
• AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  申请人：MERCK SHARP & DOHME LTD.

  公开号：EP0600952A1

  公开（公告）日：1994-06-15
• [EN] AZACYCLIC COMPOUNDS, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM
  申请人：MERCK SHARP & DOHME LIMITED

  公开号：WO1993004040A1

  公开（公告）日：1993-03-04

  (EN) Compounds of formula (I), and salts and prodrugs thereof wherein n is 1, 2 or 3; X represents O or S; R1 represents optionally substituted phenyl; R2 represents aryl, heteroaryl, benzhydryl, or benzyl; R4 and R5 each independently represent H, halo, CH2OR9, C1-6alkyl, oxo, CO2R10 or CONR10R11; R8 represents H, COR9, CO2R10 or optionally substituted C1-6alkyl; R9 represents H, C1-6alkyl or phenyl; and R10 and R11 each independently represent H or C1-6alkyl; are tachykinin antagonists. They and compositions thereof are useful in medicine.(FR) Composés de formule (I) et leurs sels et promédicaments où n vaut 1, 2 ou 3; R1 représente phényle éventuellement substitué; R2 représente aryle, hétéroaryle, benzhydryle ou benzyle; R4 et R5 représentent chacun indépendamment H, halo, CH2OR9, C1-6alkyle, oxo, CO2R10 ou CONR10R11; R8 représente H, COR9, CO2R10 ou C1-6alkyle éventuellement substitué; R9 représente H, C1-6alkyle ou phényle; et R10 et R11 représentent chacun indépendamment H ou C1-6alkyle. Ces composés sont des antagonistes de la tachykinine. Comme les compositions qui les contiennent, ils sont utiles en médecine.