4-(4-hexylphenyl)-5-(2-methylpropyl)-1H-imidazol-2-amine;hydrochloride | 1359983-72-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(4-hexylphenyl)-5-(2-methylpropyl)-1H-imidazol-2-amine;hydrochloride
• CAS: 1359983-72-4
• 化学式: C₁₉H₂₉N₃*ClH
• 分子量: 335.92
• InChiKey: HFEPECHVMDSJKE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.4
• 重原子数：
  23
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  54.7
• 氢给体数：
  3
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  氰胺 、 以 乙醇 、 水 为溶剂， 反应 3.0h， 以35 mg的产率得到4-(4-hexylphenyl)-5-(2-methylpropyl)-1H-imidazol-2-amine;hydrochloride
  参考文献：
  名称：

  Small Molecule Suppression of Carbapenem Resistance in NDM-1 Producing Klebsiella pneumoniae

  摘要：

  The already considerable global public health threat of multidrug-resistant Gram-negative bacteria has become even more of a concern following the emergence of New Delhi metallo-beta-lactamase (NDM-1) producing strains of Klebsiella pneumoniae and other Gram-negative bacteria. As an alternative approach to the traditional development of new bactericidal entities, we have identified a 2-aminoimidazole-derived small molecule that acts as an antibiotic adjuvant and is able to suppress resistance of a NDM-1 producing strain of K. pneumoniae to imipenem and meropenem, in addition to suppressing resistance of other beta-lactam nonsusceptible K. pneumoniae strains. The small molecule is able to lower carbapenem minimum inhibitory concentrations by up to 16-fold, while exhibiting little bactericidal activity itself.

  DOI：

  10.1021/ml200290p

文献信息

• Small Molecule Suppression of Carbapenem Resistance in NDM-1 Producing <i>Klebsiella pneumoniae</i>
  作者：Roberta J. Worthington、Cynthia A. Bunders、Catherine S. Reed、Christian Melander

  DOI：10.1021/ml200290p

  日期：2012.5.10

  The already considerable global public health threat of multidrug-resistant Gram-negative bacteria has become even more of a concern following the emergence of New Delhi metallo-beta-lactamase (NDM-1) producing strains of Klebsiella pneumoniae and other Gram-negative bacteria. As an alternative approach to the traditional development of new bactericidal entities, we have identified a 2-aminoimidazole-derived small molecule that acts as an antibiotic adjuvant and is able to suppress resistance of a NDM-1 producing strain of K. pneumoniae to imipenem and meropenem, in addition to suppressing resistance of other beta-lactam nonsusceptible K. pneumoniae strains. The small molecule is able to lower carbapenem minimum inhibitory concentrations by up to 16-fold, while exhibiting little bactericidal activity itself.