tert-butyl (3S,4S)-4-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)piperidine-1-carboxylate | 889126-30-1

• 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: tert-butyl (3S,4S)-4-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)piperidine-1-carboxylate
• 英文别名: tert-butyl(3S,4S)-4-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)piperidine-1-carboxylate；Tert-butyl (3s,4s)-4-{(1r)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)piperidine-1-carboxylate；tert-butyl (3S,4S)-4-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)piperidine-1-carboxylate
• CAS: 889126-30-1
• 化学式: C₂₆H₂₈F₇NO₃
• 分子量: 535.502
• InChiKey: PGXDKGSUANZJPY-RTOPAQNCSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  37
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  38.8
• 氢给体数：
  0
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  tert-butyl (3S,4S)-4-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)piperidine-1-carboxylate 在 盐酸 作用下， 以 乙酸乙酯 为溶剂， 反应 3.0h， 生成 (3S,4S)-4-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)piperidinium chloride
  参考文献：
  名称：

  WO2006/73589

  摘要：

  公开号：
• 作为产物：
  描述：

  (1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl 2,2,2-trichloroethanimidate 、 tert-butyl (3R*,4S*)-3-(4-fluorophenyl)-4-hydroxypiperidine-1-carboxylate 在 fluoroboric acid 作用下， 以 乙醚 、 环己烷 、 1,2-二氯乙烷 为溶剂， 反应 24.0h， 生成 tert-butyl (3S,4S)-4-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)piperidine-1-carboxylate
  参考文献：
  名称：

  WO2006/57977

  摘要：

  公开号：

文献信息

• Fused Triazole Tachykinin Receptor Antagonists
  申请人：DeVita Robert J.

  公开号：US20090221611A1

  公开（公告）日：2009-09-03

  The present invention is directed to certain fused triazole compounds which are useful as neurokinin-1 (NK-I) receptor antagonists, and inhibitors of tachykinin and in particular substance P- The invention is also concerned with pharmaceutical formulations comprising these compounds as active ingredients and the use of the compounds and their formulations in the treatment of certain disorders, including emesis, urinary incontinence, depression, and anxiety.

  本发明涉及某些融合的三唑化合物，它们可用作神经激肽-1（NK-I）受体拮抗剂和快速激肽，特别是物质P的抑制剂。本发明还涉及包含这些化合物作为活性成分的制药配方以及这些化合物及其配方在治疗某些疾病，包括呕吐、尿失禁、抑郁症和焦虑症方面的用途。
• Cycloalkyl Keto Piperidine Tachykinin Receptor Antagonists
  申请人：DeVita J. Robert

  公开号：US20080076783A1

  公开（公告）日：2008-03-27

  The present invention is directed to certain piperidine compounds which are useful as neurokinin-1 (NK-1) receptor antagonists, and inhibitors of tachykinin and in particular substance P. The invention is also concerned with pharmaceutical formulations comprising these compounds as active ingredients and the use of the compounds and their formulations in the treatment of certain disorders, including emesis, urinary incontinence, depression, and anxiety.

  本发明涉及某些哌啶化合物，其作为神经激肽-1（NK-1）受体拮抗剂和快速激肽，特别是物质P的抑制剂是有用的。本发明还涉及包含这些化合物作为活性成分的制药配方，并且涉及将这些化合物及其配方用于治疗某些疾病，包括呕吐、尿失禁、抑郁症和焦虑症。
• Piperidinyl Piperidine Tachykinin Receptor Antagonists
  申请人：Devita Robert J.

  公开号：US20080146588A1

  公开（公告）日：2008-06-19

  The present invention is directed to certain piperidine compounds which are useful as neurokinin-1 (NK-1) receptor antagonists, and inhibitors of tachykinin and in particular substance P. The invention is also concerned with pharmaceutical formulations comprising these compounds as active ingredients and the use of the compounds and their formulations in the treatment of certain disorders, including emesis, urinary incontinence, depression, and anxiety.

  本发明涉及某些哌啶化合物，其可用作神经激肽1（NK-1）受体拮抗剂，并且是缓激肽，特别是物质P的抑制剂。本发明还涉及包含这些化合物作为活性成分的制药配方以及利用这些化合物及其配方治疗某些疾病，包括呕吐、尿失禁、抑郁症和焦虑症。
• Cycloalkyl Piperidine Tachykinin Receptor Antagonists
  申请人：DeVita Robert J.

  公开号：US20080153851A1

  公开（公告）日：2008-06-26

  The present invention is directed to certain piperidine compounds which are useful as neurokinin-1 (NK-1) receptor antagonists, and inhibitors of tachykinin and in particular substance P. The invention is also concerned with pharmaceutical formulations comprising these compounds as active ingredients and the use of the compounds and their formulations in the treatment of certain disorders, including emesis, urinary incontinence, depression, and anxiety.

  本发明涉及某些哌啶类化合物，其可用作神经激肽-1（NK-1）受体拮抗剂，以及缓激肽和特别是物质P的抑制剂。本发明还涉及包含这些化合物作为活性成分的药物配方，以及这些化合物及其配方在治疗某些疾病，包括呕吐、尿失禁、抑郁症和焦虑症方面的使用。
• WO2006/57977
  申请人：——

  公开号：——

  公开（公告）日：——