1-(4-哌啶基)-2-三氟甲基-1H-苯并咪唑 | 742076-06-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 中文名称: 1-(4-哌啶基)-2-三氟甲基-1H-苯并咪唑
• 英文名称: 1-(4-Piperidinyl)-2-(trifluoromethyl)-1H-benzimidazole
• 英文别名: 1-piperidin-4-yl-2-(trifluoromethyl)benzimidazole
• CAS: 742076-06-8
• 化学式: C₁₃H₁₄F₃N₃
• 分子量: 269.269
• InChiKey: VNANKKHTFBNUCV-UHFFFAOYSA-N

物化性质

• 沸点：
  354.9±42.0 °C(Predicted)
• 密度：
  1.41±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  29.8
• 氢给体数：
  1
• 氢受体数：
  5

安全信息

• 海关编码：
  2933990090
• 危险性防范说明：
  P261,P305+P351+P338
• 危险性描述：
  H302,H315,H319,H335

反应信息

• 作为反应物：
  描述：

  5-甲氧基吲哚-2-羧酸 、 1-(4-哌啶基)-2-三氟甲基-1H-苯并咪唑 在 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1-{1-[(5-methoxy-1H-indol-2-yl)carbonyl]piperidin-4-yl}-2-(trifluoromethyl)-1H-1,3-benzodiazole
  参考文献：
  名称：

  New ‘chemical probes’ to examine the role of the hFPRL1 (or ALXR) receptor in inflammation

  摘要：

  We report the development of the novel N-substituted benzimidazole 11 as a potent and selective human formyl peptide receptor-like 1 (hFPRL1) agonist. This compound and its less active enantiomer 12 were identified as useful tools for studying receptor function in vitro. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.09.043
• 作为产物：
  描述：

  在 base 作用下， 生成 1-(4-哌啶基)-2-三氟甲基-1H-苯并咪唑
  参考文献：
  名称：

  New ‘chemical probes’ to examine the role of the hFPRL1 (or ALXR) receptor in inflammation

  摘要：

  We report the development of the novel N-substituted benzimidazole 11 as a potent and selective human formyl peptide receptor-like 1 (hFPRL1) agonist. This compound and its less active enantiomer 12 were identified as useful tools for studying receptor function in vitro. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.09.043

文献信息

• New ‘chemical probes’ to examine the role of the hFPRL1 (or ALXR) receptor in inflammation
  作者：Mike Frohn、Han Xu、Xiaoming Zou、Catherine Chang、Michele McElvaine、Matthew H. Plant、Min Wong、Philip Tagari、Randall Hungate、Roland W. Bürli

  DOI：10.1016/j.bmcl.2007.09.043

  日期：2007.12

  We report the development of the novel N-substituted benzimidazole 11 as a potent and selective human formyl peptide receptor-like 1 (hFPRL1) agonist. This compound and its less active enantiomer 12 were identified as useful tools for studying receptor function in vitro. (c) 2007 Elsevier Ltd. All rights reserved.