adamantane-1-carboxylic acid [3-(2-amino-3H-imidazol-4-yl)phenyl]amide hydrochloride | 1190333-30-2

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: adamantane-1-carboxylic acid [3-(2-amino-3H-imidazol-4-yl)phenyl]amide hydrochloride
• 英文别名: N-[3-(2-amino-1H-imidazol-5-yl)phenyl]adamantane-1-carboxamide;hydrochloride
• CAS: 1190333-30-2
• 化学式: C₂₀H₂₄N₄O*ClH
• 分子量: 372.898
• InChiKey: JRBNTSCJOYUVNL-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.24
• 重原子数：
  26
• 可旋转键数：
  3
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  83.8
• 氢给体数：
  4
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  5-[3-(adamantane-1-carbonylamino)phenyl]-2-aminoimidazole-1-carboxylic acid tert-butyl ester 在 三氟乙酸 、 盐酸 作用下， 以 二氯甲烷 、 乙醚 为溶剂， 以98%的产率得到adamantane-1-carboxylic acid [3-(2-amino-3H-imidazol-4-yl)phenyl]amide hydrochloride
  参考文献：
  名称：

  Identification of aryl 2-aminoimidazoles as biofilm inhibitors in Gram-negative bacteria

  摘要：

  The synthesis and biofilm inhibitory activity of a 30-member aryl amide 2-aminoimidazole library against the three biofilm forming Gram-negative bacteria Escherichia coli, Psuedomonas aeruginosa, and Acinetobacter baumannii is presented. The most active compound identified inhibits the formation of E. coli biofilms with an IC(50) of 5.2 mu M and was observed to be non-toxic to planktonic growth, demonstrating that analogues based on an aryl framework are viable options as biofilm inhibitors within the 2-aminoimidazole family. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.042

文献信息

• Identification of aryl 2-aminoimidazoles as biofilm inhibitors in Gram-negative bacteria
  作者：Cynthia A. Bunders、Justin J. Richards、Christian Melander

  DOI：10.1016/j.bmcl.2010.04.042

  日期：2010.6

  The synthesis and biofilm inhibitory activity of a 30-member aryl amide 2-aminoimidazole library against the three biofilm forming Gram-negative bacteria Escherichia coli, Psuedomonas aeruginosa, and Acinetobacter baumannii is presented. The most active compound identified inhibits the formation of E. coli biofilms with an IC(50) of 5.2 mu M and was observed to be non-toxic to planktonic growth, demonstrating that analogues based on an aryl framework are viable options as biofilm inhibitors within the 2-aminoimidazole family. (C) 2010 Elsevier Ltd. All rights reserved.