5-[4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl]pentyl methanesulfonate | 850554-43-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-[4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl]pentyl methanesulfonate
• CAS: 850554-43-7
• 化学式: C₂₈H₃₄Cl₂N₄O₄S
• 分子量: 593.574
• InChiKey: CGTQENMRBIJXOE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.97
• 重原子数：
  39.0
• 可旋转键数：
  11.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  93.53
• 氢给体数：
  1.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  5-[4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl]pentyl methanesulfonate 在 lithium aluminium tetrahydride 、 sodium azide 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 生成 5-[4-(5-aminopentyl)phenyl]-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide
  参考文献：
  名称：

  Synthesis of novel 5-substituted pyrazole derivatives as cannabinoid antagonists

  摘要：

  A facile seven-step sequence was developed from 4'-bromopropiophenone, utilizing a Suzuki-type coupling with an alkene, to give several novel 5-substituted pyrazole derivatives in overall yields of 11-31%. They are potent CB1 antagonists and have binding affinities similar to SR 141716A. Like SR 141716A, they may prove to be clinically useful for the treatment of obesity. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.01.165
• 作为产物：
  描述：

  1-(2,4-dichlorophenyl)-4-methyl-5-[4-[5-(oxan-2-yloxy)pentyl]phenyl]-N-piperidin-1-ylpyrazole-3-carboxamide 在 对甲苯磺酸 作用下， 以 甲醇 为溶剂， 生成 5-[4-[2-(2,4-dichlorophenyl)-4-methyl-5-(piperidin-1-ylcarbamoyl)pyrazol-3-yl]phenyl]pentyl methanesulfonate
  参考文献：
  名称：

  Synthesis of novel 5-substituted pyrazole derivatives as cannabinoid antagonists

  摘要：

  A facile seven-step sequence was developed from 4'-bromopropiophenone, utilizing a Suzuki-type coupling with an alkene, to give several novel 5-substituted pyrazole derivatives in overall yields of 11-31%. They are potent CB1 antagonists and have binding affinities similar to SR 141716A. Like SR 141716A, they may prove to be clinically useful for the treatment of obesity. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.tetlet.2005.01.165