(3R,4S)-4-{[(4'-cyano-4-methoxybiphenyl-3-yl)methyl]amino}-N-methyl-3-phenylpiperidine-1-carboxamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: (3R,4S)-4-{[(4'-cyano-4-methoxybiphenyl-3-yl)methyl]amino}-N-methyl-3-phenylpiperidine-1-carboxamide
• 英文别名: (3R,4S)-4-[[5-(4-cyanophenyl)-2-methoxyphenyl]methylamino]-N-methyl-3-phenylpiperidine-1-carboxamide
• 化学式: C₂₈H₃₀N₄O₂
• 分子量: 454.572
• InChiKey: KBMUVDZTTHZOQB-UIOOFZCWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  77.4
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4'-methoxy-3'-({[(3R,4S)-3-phenylpiperidin-4-yl]amino}methyl)biphenyl-4-carbonitrile dihydrochloride 、 异氰酸甲酯 以 四氢呋喃 为溶剂， 反应 16.0h， 以24%的产率得到(3R,4S)-4-{[(4'-cyano-4-methoxybiphenyl-3-yl)methyl]amino}-N-methyl-3-phenylpiperidine-1-carboxamide
  参考文献：
  名称：

  WO2007/15588

  摘要：

  公开号：

文献信息

• Piperidine derivative and use thereof
  申请人：Ikeura Yoshinori

  公开号：US20070149570A1

  公开（公告）日：2007-06-28

  The present invention relates to a compound represented by the formula: wherein Ar is a phenyl group optionally having substituent(s), R 1 is a hydrogen atom, a hydrocarbon group optionally having substituent(s), an acyl group or a heterocyclic group optionally having substituent(s), R 2 is a hydrogen atom, a C 1-6 alkyl group optionally having substituent(s) or a C 3-6 cycloalkyl group optionally having substituent(s), Z is a methylene group optionally having a C 1-6 alkyl group, ring A is a piperidine ring optionally further having substituent(s), ring B and ring C are benzene rings optionally further having substituent(s), and R 2 optionally form a ring together with the adjacent substituent on the ring B, except the compounds represented by the formula: or a salt thereof. The compound of the present invention has a superior tachykinin receptor antagonistic action, particularly a substance P receptor antagonistic action, and is useful as a pharmaceutical agent, for example, tachykinin receptor antagonist, an agent for the prophylaxis or treatment of lower urinary tract symptoms, gastrointestinal diseases or central nerve diseases.

  本发明涉及一种化合物，其表示为以下式子： 其中Ar是苯基，可选地具有取代基；R1是氢原子，烃基，可选地具有取代基，酰基或杂环基，R2是氢原子，C1-6烷基，可选地具有取代基或C3-6环烷基，可选地具有取代基，Z是亚甲基，可选地具有C1-6烷基，环A是哌啶环，可选地具有进一步的取代基，环B和环C是苯环，可选地具有进一步的取代基，R2可选地与环B上相邻的取代基一起形成环，但不包括以下式子所表示的化合物或其盐： 本发明的化合物具有优良的速激肽受体拮抗作用，特别是物质P受体拮抗作用，并且可用作药物，例如速激肽受体拮抗剂，预防或治疗下尿路症状，胃肠疾病或中枢神经疾病的药剂。