1-cyclopentyl-3-tetradecylimidazol-3-ium bromide | 1332836-52-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-cyclopentyl-3-tetradecylimidazol-3-ium bromide
• 英文别名: 1-Cyclopentyl-3-tetradecylimidazol-3-ium;bromide
• CAS: 1332836-52-8
• 化学式: Br*C₂₂H₄₁N₂
• 分子量: 413.485
• InChiKey: FHFRGTIHQXVIJK-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  3.6
• 重原子数：
  25
• 可旋转键数：
  14
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.86
• 拓扑面积：
  8.8
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为产物：
  描述：

  1-(cyclopent-1-yl)imidazole 、 溴代十四烷 以 乙腈 为溶剂， 反应 72.0h， 以84%的产率得到1-cyclopentyl-3-tetradecylimidazol-3-ium bromide
  参考文献：
  名称：

  LuxR dependent quorum sensing inhibition by N,N′-disubstituted imidazolium salts

  摘要：

  Thirty N,N'-disubstituted imidazolium salts have been synthesized and evaluated as LuxR antagonists. Substitution on one of the imidazolium nitrogen atoms includes benzhydryl, fluorenyl or cyclopentyl substituent, and alkyl chains of various lengths on the second one. Most of these compounds displayed antagonist activity, with IC(50) reaching the micromolar range for the most active ones. The disubstituted imidazolium scaffold is thus shown to be a new pertinent pharmacophore in the field of AHL dependent QS inhibition. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.06.075

文献信息

• LuxR dependent quorum sensing inhibition by N,N′-disubstituted imidazolium salts
  作者：Mohamad Sabbah、Laurent Soulère、Sylvie Reverchon、Yves Queneau、Alain Doutheau

  DOI：10.1016/j.bmc.2011.06.075

  日期：2011.8

  Thirty N,N'-disubstituted imidazolium salts have been synthesized and evaluated as LuxR antagonists. Substitution on one of the imidazolium nitrogen atoms includes benzhydryl, fluorenyl or cyclopentyl substituent, and alkyl chains of various lengths on the second one. Most of these compounds displayed antagonist activity, with IC(50) reaching the micromolar range for the most active ones. The disubstituted imidazolium scaffold is thus shown to be a new pertinent pharmacophore in the field of AHL dependent QS inhibition. (C) 2011 Elsevier Ltd. All rights reserved.