1-O-ethyl 5-O-methyl 2-(4-benzylpiperazin-1-yl)-2-phenylpentanedioate | 945936-50-5

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 1-O-ethyl 5-O-methyl 2-(4-benzylpiperazin-1-yl)-2-phenylpentanedioate
• CAS: 945936-50-5
• 化学式: C₂₅H₃₂N₂O₄
• 分子量: 424.54
• InChiKey: MMZDQZWJGHAYCX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  31
• 可旋转键数：
  11
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  59.1
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  1-O-ethyl 5-O-methyl 2-(4-benzylpiperazin-1-yl)-2-phenylpentanedioate 在 sodium hydroxide 、 水 、 盐酸 作用下， 以 1,4-二氧六环 、 水 为溶剂， 反应 65.0h， 生成 4-(4-Benzylpiperazin-1-yl)-5-ethoxy-5-oxo-4-phenylpentanoic acid
  参考文献：
  名称：

  WO2007/90826

  摘要：

  公开号：
• 作为产物：
  描述：

  3-溴丙酸甲酯 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 24.0h， 生成 1-O-ethyl 5-O-methyl 2-(4-benzylpiperazin-1-yl)-2-phenylpentanedioate
  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：——