| 1359983-79-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• CAS: 1359983-79-1
• 化学式: C₁₈H₂₅N₃O₂
• 分子量: 315.415
• InChiKey: XXXTVYUKAMCGHX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.26
• 重原子数：
  23.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.44
• 拓扑面积：
  70.14
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  在 盐酸 、 三氟乙酸 作用下， 以 甲醇 、 二氯甲烷 为溶剂， 反应 2.0h， 以98%的产率得到4-(4-butylphenyl)-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
• 作为产物：
  描述：

  4-丁基苄氯 在 氢溴酸 作用下， 以 乙醚 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 73.25h， 生成
  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