3-Chlorophenyl 4-(3-(trifluoromethyl)pyridin-2-yl)piperazine-1-carboxylate | 1202247-79-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 3-Chlorophenyl 4-(3-(trifluoromethyl)pyridin-2-yl)piperazine-1-carboxylate
• 英文别名: (3-chlorophenyl) 4-[3-(trifluoromethyl)pyridin-2-yl]piperazine-1-carboxylate
• CAS: 1202247-79-7
• 化学式: C₁₇H₁₅ClF₃N₃O₂
• 分子量: 385.773
• InChiKey: VANQOAFYCGMJFN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  45.7
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3-chlorophenyl chloroformate 、 1-[3-(三氟甲基)吡啶-2-基]哌嗪 在 三乙胺 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 15.0h， 生成 3-Chlorophenyl 4-(3-(trifluoromethyl)pyridin-2-yl)piperazine-1-carboxylate
  参考文献：
  名称：

  Synthesis and biological evaluation of piperazinyl carbamates and ureas as fatty acid amide hydrolase (FAAH) and transient receptor potential (TRP) channel dual ligands

  摘要：

  The evaluation of a series of piperazinyl carbamates and ureas, designed on the basis of previously reported TRPV1 antagonists and FAAH inhibitors, led to the identification of some 'dual-action' compounds targeting both FAAH and TRPV1 or TRPA1 receptors. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.09.033

文献信息

• Synthesis and biological evaluation of piperazinyl carbamates and ureas as fatty acid amide hydrolase (FAAH) and transient receptor potential (TRP) channel dual ligands
  作者：Enrico Morera、Luciano De Petrocellis、Ludovica Morera、Aniello Schiano Moriello、Alessia Ligresti、Marianna Nalli、David F. Woodward、Vincenzo Di Marzo、Giorgio Ortar

  DOI：10.1016/j.bmcl.2009.09.033

  日期：2009.12

  The evaluation of a series of piperazinyl carbamates and ureas, designed on the basis of previously reported TRPV1 antagonists and FAAH inhibitors, led to the identification of some 'dual-action' compounds targeting both FAAH and TRPV1 or TRPA1 receptors. (C) 2009 Elsevier Ltd. All rights reserved.