2-(4-(3-(2-amino-1H-imidazol-4-yl)propyl)-1H-1,2,3-triazol-1-yl)-N-tetradecylacetamide | 1192370-51-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(4-(3-(2-amino-1H-imidazol-4-yl)propyl)-1H-1,2,3-triazol-1-yl)-N-tetradecylacetamide
• 英文别名: 2-[4-[3-(2-amino-1H-imidazol-5-yl)propyl]triazol-1-yl]-N-tetradecylacetamide
• CAS: 1192370-51-6
• 化学式: C₂₄H₄₃N₇O
• 分子量: 445.652
• InChiKey: AECGGMNRMXBSKA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.2
• 重原子数：
  32
• 可旋转键数：
  19
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.75
• 拓扑面积：
  115
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为反应物：
  描述：

  2-(4-(3-(2-amino-1H-imidazol-4-yl)propyl)-1H-1,2,3-triazol-1-yl)-N-tetradecylacetamide 在 盐酸 作用下， 以 甲醇 、 水 为溶剂， 以0.059 g的产率得到2-(4-(3-(2-amino-1H-imidazol-4-yl)propyl)-1H-1,2,3-triazol-1-yl)-N-tetradecylacetamide hydrochloride
  参考文献：
  名称：

  Modulating the development of E. coli biofilms with 2-aminoimidazoles

  摘要：

  The synthesis of a 20 member 2-aminoimidazole/triazole pilot library is reported. Each member of the library was screened for its ability to inhibit or promote biofilm development of either Escherichia coli and Acinetobacter baumannii. From this screen, E. coli-selective 2-aminoimidazoles were discovered, with the best inhibitor inhibiting biofilm development with an IC(50) of 13 mu M. The most potent promoter of E. coli biofilm formation promoted biofilm development by 321% at 400 mu M. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.08.075
• 作为产物：
  描述：

  tert-butyl 2-amino-4-(3-(1-(2-oxo-2-(tetradecylamino)ethyl)-1H-1,2,3-triazol-4-yl)propyl)-1H-imidazole-1-carboxylate 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 反应 1.5h， 生成 2-(4-(3-(2-amino-1H-imidazol-4-yl)propyl)-1H-1,2,3-triazol-1-yl)-N-tetradecylacetamide
  参考文献：
  名称：

  Modulating the development of E. coli biofilms with 2-aminoimidazoles

  摘要：

  The synthesis of a 20 member 2-aminoimidazole/triazole pilot library is reported. Each member of the library was screened for its ability to inhibit or promote biofilm development of either Escherichia coli and Acinetobacter baumannii. From this screen, E. coli-selective 2-aminoimidazoles were discovered, with the best inhibitor inhibiting biofilm development with an IC(50) of 13 mu M. The most potent promoter of E. coli biofilm formation promoted biofilm development by 321% at 400 mu M. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.08.075