4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(4-(trifluoromethylthio)phenyl)piperazine-1-carboxamide | 681136-26-5

• 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: 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(4-(trifluoromethylthio)phenyl)piperazine-1-carboxamide
• 英文别名: 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]piperazine-1-carboxamide
• CAS: 681136-26-5
• 化学式: C₂₀H₁₈F₃N₅OS₂
• 分子量: 465.523
• InChiKey: WJLHDOKRJJPUAW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.3
• 重原子数：
  31
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  115
• 氢给体数：
  1
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  3-苯基-5-哌嗪基-1,2,4-噻二唑 、 4-三氟甲基硫代苯基异氰酸酯 以 二氯甲烷 为溶剂， 生成 4-(3-phenyl-1,2,4-thiadiazol-5-yl)-N-(4-(trifluoromethylthio)phenyl)piperazine-1-carboxamide
  参考文献：
  名称：

  Thiadiazolopiperazinyl ureas as inhibitors of fatty acid amide hydrolase

  摘要：

  A series of thiadiazolopiperazinyl aryl urea fatty acid amide hydrolase ( FAAH) inhibitors is described. The molecules were found to inhibit the enzyme by acting as mechanism-based substrates, forming a covalent bond with Ser241. SAR and PK properties are presented. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.07.081

文献信息

• Thiadiazolopiperazinyl ureas as inhibitors of fatty acid amide hydrolase
  作者：John M. Keith、Richard Apodaca、Wei Xiao、Mark Seierstad、Kanaka Pattabiraman、Jiejun Wu、Michael Webb、Mark J. Karbarz、Sean Brown、Sandy Wilson、Brian Scott、Chui-Se Tham、Lin Luo、James Palmer、Michelle Wennerholm、Sandra Chaplan、J. Guy Breitenbucher

  DOI：10.1016/j.bmcl.2008.07.081

  日期：2008.9

  A series of thiadiazolopiperazinyl aryl urea fatty acid amide hydrolase ( FAAH) inhibitors is described. The molecules were found to inhibit the enzyme by acting as mechanism-based substrates, forming a covalent bond with Ser241. SAR and PK properties are presented. (C) 2008 Elsevier Ltd. All rights reserved.