3,4-dichloro-N-[[5-[(cyclohexylamino)methyl]-2H-triazol-4-yl]methyl]benzenesulfonamide | 1226865-48-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 3,4-dichloro-N-[[5-[(cyclohexylamino)methyl]-2H-triazol-4-yl]methyl]benzenesulfonamide
• CAS: 1226865-48-0
• 化学式: C₁₆H₂₁Cl₂N₅O₂S
• 分子量: 418.347
• InChiKey: CDLZJEOGXCJLLN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  26
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  108
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  、 环己胺 以 1,4-二氧六环 为溶剂， 生成 3,4-dichloro-N-[[5-[(cyclohexylamino)methyl]-2H-triazol-4-yl]methyl]benzenesulfonamide
  参考文献：
  名称：

  NH-1,2,3-Triazole Inhibitors of the VIM-2 Metallo-β-Lactamase

  摘要：

  Metallo-beta-lactamases (MBLs) are an emerging cause of bacterial resistance to antibiotic treatment. The VIM-2 beta-lactamase is the most commonly encountered MBLs in clinical isolates worldwide. Described here are potent and selective small molecule inhibitors of VIM-2 containing the arylsulfonyl-NH-1,2,3-triazole chemotype that potentiate the efficacy of the beta-lactam, imipenem, in Escherichia coli.

  DOI：

  10.1021/ml900022q

文献信息

• NH-1,2,3-Triazole Inhibitors of the VIM-2 Metallo-β-Lactamase
  作者：Timo Weide、S. Adrian Saldanha、Dmitriy Minond、Timothy P. Spicer、Joseph R. Fotsing、Michael Spaargaren、Jean-Marie Frère、Carine Bebrone、K. Barry Sharpless、Peter S. Hodder、Valery V. Fokin

  DOI：10.1021/ml900022q

  日期：2010.7.8

  Metallo-beta-lactamases (MBLs) are an emerging cause of bacterial resistance to antibiotic treatment. The VIM-2 beta-lactamase is the most commonly encountered MBLs in clinical isolates worldwide. Described here are potent and selective small molecule inhibitors of VIM-2 containing the arylsulfonyl-NH-1,2,3-triazole chemotype that potentiate the efficacy of the beta-lactam, imipenem, in Escherichia coli.