[2R-[2a(R*),3a]]-2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine | 1236186-57-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: [2R-[2a(R*),3a]]-2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine
• 英文别名: (2R,3S)-2-[1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine
• CAS: 1236186-57-4
• 化学式: C₂₀H₁₈F₇NO₂
• 分子量: 437.357
• InChiKey: AFBDSAJOMZYQAI-LHOBAWKSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.7
• 重原子数：
  30
• 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：
  30.5
• 氢给体数：
  1
• 氢受体数：
  10

文献信息

• PROCESS FOR THE PREPARATION OF APREPITANT
  申请人：Nath Asok

  公开号：US20100004242A1

  公开（公告）日：2010-01-07

  The present invention relates to a highly pure (2R,3S)-4-benzyl-3-(4-fluorophenyl)morpholin-2-yl 3,5-bis(trifluoromethyl)benzoate of Formula II, and a process for its preparation. The present invention further provides a process for preparation of Aprepitant of Formula I or pharmaceutically acceptable salt thereof, using the highly pure compound of Formula II. The present invention also provides a process for preparation of Aprepitant of Formula I or pharmaceutically acceptable salt thereof which comprises of cyclising the compound of Formula VII at elevated temperature, in the absence of solvent.

  本发明涉及一种高度纯净的(2R,3S)-4-苄基-3-(4-氟苯基)吗啡啶-2-基3,5-双(三氟甲基)苯甲酸酯（式II），以及其制备方法。本发明还提供了一种使用式II高度纯净化合物制备式I或其药学上可接受的盐的阿普利坦的方法。本发明还提供了一种制备式I或其药学上可接受的盐的阿普利坦的方法，其中包括在无溶剂存在下，在高温下使式VII的化合物环化。
• Polymorphic form of a tachykinin receptor antagonist
  申请人：Merck & Co., Inc.

  公开号：US20010041702A1

  公开（公告）日：2001-11-15

  This invention is concerned with a novel polymorphic form 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 useful in the treatment or prevention of disorders of the central nervous system, inflammatory diseases, pain or migraine, asthma, and emesis. The instant polymorphic form has advantages over the other known forms of 2-(R)-(1-(R)-(3,1-bis(trifluoro-methyl)-phenyl)ethoxy)-3-(S)-(4-fluoro)phenyl-4-(3-(5-oxo-1H,4H-1,2,4-triazolo)methylmorpholine in terms of thermodynamic stability and suitability for inclusion in pharmaceutical formulations.

  这项发明涉及一种新的多晶型化合物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，它是一种缓激肽受体拮抗剂，可用于治疗或预防中枢神经系统疾病、炎症性疾病、疼痛或偏头痛、哮喘和呕吐等疾病。这种多晶型具有比已知的其他形式的2-(R)-(1-(R)-(3,1-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)甲基吗啡啶更好的热力学稳定性和适合用于制药配方的优点。
• Morpholine and thiomorpholine tachykinin receptor antagonists
  申请人：Merck & Co., Inc.

  公开号：US20020002164A1

  公开（公告）日：2002-01-03

  Substituted heterocycles of the general structural formula: 1 are tachykinin receptor antagonists useful in the treatment of inflammatory diseases, pain or migraine, asthma and emesis, and calcium channel blockers useful in the treatment of cardiovascular conditions such as angina, hypertension or ischemia.

  通用结构式1的替代杂环可作为缓激肽受体拮抗剂，用于治疗炎症性疾病、疼痛或偏头痛、哮喘和呕吐，以及钙通道阻滞剂，用于治疗心血管疾病，如心绞痛、高血压或缺血。
• POLYMORPHIC FORM OF THE TACHYKININ RECEPTOR ANTAGONIST 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
  申请人：Merck & Co., Inc.

  公开号：EP0994867B1

  公开（公告）日：2007-09-12
• US6048859A
  申请人：——

  公开号：US6048859A

  公开（公告）日：2000-04-11