Methyl 4-[(1-benzylpiperidin-4-ylidene)-cyanomethyl]benzoate | 945936-74-3

• 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: Methyl 4-[(1-benzylpiperidin-4-ylidene)-cyanomethyl]benzoate
• CAS: 945936-74-3
• 化学式: C₂₂H₂₂N₂O₂
• 分子量: 346.429
• InChiKey: YBNOOUCVIUWTFQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.4
• 重原子数：
  26
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  53.3
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  Methyl 4-[(1-benzylpiperidin-4-ylidene)-cyanomethyl]benzoate 在 噻吩 、 palladium 10% on activated carbon 氢气 作用下， 以 甲醇 为溶剂， 生成 Methyl 4-[(1-benzylpiperidin-4-yl)-cyanomethyl]benzoate
  参考文献：
  名称：

  WO2007/90826

  摘要：

  公开号：
• 作为产物：
  描述：

  N-苄基哌啶酮 、 对氰基甲基苯甲酸甲酯 在 sodium methylate 作用下， 以 甲醇 为溶剂， 反应 42.0h， 以34.9%的产率得到Methyl 4-[(1-benzylpiperidin-4-ylidene)-cyanomethyl]benzoate
  参考文献：
  名称：

  WO2007/90826

  摘要：

  公开号：

文献信息

• Piperidine Derivatives as Cxcr3 Receptor Antagonists
  申请人：Coesemans Erwin

  公开号：US20090030039A1

  公开（公告）日：2009-01-29

  The present invention relates to a compound of formula (I) a N-oxide thereof, a pharmaceutically acceptable salt thereof, a stereochemically isomeric form thereof or a solvate thereof, wherein X represents N or CH; Y and Z each independently represent C(═O) or CH 2 provided that at least one of Y and Z represents C(═O); R 1 represents CH(R 4 )-aryl or CH(R 4 )-heteroaryl; R 2 represents aryl 2 or heteroaryl; R 3 represents hydrogen; C 1-4 alkylcarbonyl; C 1-6 alkyl optionally substituted with C 1-6 alkyloxy, C 1-6 alkylthio, C 1-6 alkyloxycarbonyl or aryl 1 ; provided that when Y and Z each represent C(═O), X represents CH, R 3 represents hydrogen, R 4 represents hydrogen, and R 2 represents unsubstituted pyridyl or phenyl optionally substituted with one halo or with one C 1-4 alkyloxy or with one or two C 1-4 alkyl, then aryl in the definition of R 1 is other than phenyl substituted with one halo or with one or two C 1-4 alkyl; and provided that when Y and Z each represent C(═O), X represents CH, R 3 represents hydrogen, and R 2 represents unsubstituted pyridyl or phenyl optionally substituted with one halo or with one C 1-4 alkyloxy or with one or two C 1-4 alkyl, then heteroaryl in the definition of R 1 is other than unsubstituted thienyl or unsubstituted pyridyl. The present invention also relates to the use of a compound of formula (I) for the manufacture of a medicament for preventing or treating a disease mediated through activation of the CXCR3 receptor; to processes for preparing the compounds of formula (I) and pharmaceutical compositions comprising them.
• WO2007/90826
  申请人：——

  公开号：——

  公开（公告）日：——