3-cyclohexyl-N-(3-nitro-2',6'-bis(trifluoromethyl)-[1,1'-biphenyl]-4-yl)acrylamide | 1365108-91-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3-cyclohexyl-N-(3-nitro-2',6'-bis(trifluoromethyl)-[1,1'-biphenyl]-4-yl)acrylamide
• CAS: 1365108-91-3
• 化学式: C₂₃H₂₀F₆N₂O₃
• 分子量: 486.414
• InChiKey: QZWZAGGAZWJDPG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.37
• 重原子数：
  34.0
• 可旋转键数：
  5.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  72.24
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  3-cyclohexyl-N-(3-nitro-2',6'-bis(trifluoromethyl)-[1,1'-biphenyl]-4-yl)acrylamide 在 铁粉 、 溶剂黄146 作用下， 生成 6-[2,6-bis(trifluoromethyl)phenyl]-2-(2-cyclohexylethenyl)-1H-benzimidazole
  参考文献：
  名称：

  Discovery of vinylcycloalkyl-substituted benzimidazole TRPM8 antagonists effective in the treatment of cold allodynia

  摘要：

  Thermosensitive transient receptor potential melastatin 8 (TRPM8) antagonists are considered to be potential therapeutic agents for the treatment of cold hypersensitivity. The discovery of a new class of TRPM8 antagonists that shows in vivo efficacy in the rat chronic constriction injury (CCI)-induced model of neuropathic pain is described. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.060
• 作为产物：
  描述：

  3-cyclohexylacrylic acid 在 草酰氯 、 sodium hydride 、 N,N-二甲基甲酰胺 作用下， 以 四氢呋喃 为溶剂， 生成 3-cyclohexyl-N-(3-nitro-2',6'-bis(trifluoromethyl)-[1,1'-biphenyl]-4-yl)acrylamide
  参考文献：
  名称：

  Discovery of vinylcycloalkyl-substituted benzimidazole TRPM8 antagonists effective in the treatment of cold allodynia

  摘要：

  Thermosensitive transient receptor potential melastatin 8 (TRPM8) antagonists are considered to be potential therapeutic agents for the treatment of cold hypersensitivity. The discovery of a new class of TRPM8 antagonists that shows in vivo efficacy in the rat chronic constriction injury (CCI)-induced model of neuropathic pain is described. (c) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.01.060