N-[1-(S)-[[5-(4-methoxyanilino)carbonyl]benzimidazol-2-yl]-2-methyl]propyl-(R)-2-tert-butoxycarbonylmethylhexanamide | 1154525-66-2

• 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: N-[1-(S)-[[5-(4-methoxyanilino)carbonyl]benzimidazol-2-yl]-2-methyl]propyl-(R)-2-tert-butoxycarbonylmethylhexanamide
• 英文别名: tert-butyl (3R)-3-[[(1S)-1-[6-[(4-methoxyphenyl)carbamoyl]-1H-benzimidazol-2-yl]-2-methylpropyl]carbamoyl]heptanoate
• CAS: 1154525-66-2
• 化学式: C₃₁H₄₂N₄O₅
• 分子量: 550.698
• InChiKey: DGQSKAKUAAHKMQ-HRFSGMKKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.6
• 重原子数：
  40
• 可旋转键数：
  14
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  122
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N-[1-(S)-[[5-(4-methoxyanilino)carbonyl]benzimidazol-2-yl]-2-methyl]propyl-(R)-2-tert-butoxycarbonylmethylhexanamide 在 甲酸 、 水 作用下， 反应 10.0h， 生成
  参考文献：
  名称：

  Design, synthesis and antibacterial activity of novel actinonin derivatives containing benzimidazole heterocycles

  摘要：

  A series of novel actinonin derivatives containing a benzimidazole heterocycle linked as amide isostere have been designed and synthesized. The structures of all the synthesized compounds were confirmed by analytical and spectroscopic methods. All the compounds were evaluated in vitro against Staphylococcus aureus, Klebsiella pneumoniae, and Sarcina lutea. Among them, compound la with unsubstituted benzimidazole ring exhibited potent antibacterial activities. (C) 2008 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2008.05.009
• 作为产物：
  描述：

  、 (R)-(+)-2-丁基丁二酸 4-叔丁酯 在 N-甲基吗啉 、 2-氯-4,6-二甲氧基-1,3,5-三嗪 作用下， 以 二氯甲烷 为溶剂， 反应 4.0h， 生成 N-[1-(S)-[[5-(4-methoxyanilino)carbonyl]benzimidazol-2-yl]-2-methyl]propyl-(R)-2-tert-butoxycarbonylmethylhexanamide
  参考文献：
  名称：

  Design, synthesis and antibacterial activity of novel actinonin derivatives containing benzimidazole heterocycles

  摘要：

  A series of novel actinonin derivatives containing a benzimidazole heterocycle linked as amide isostere have been designed and synthesized. The structures of all the synthesized compounds were confirmed by analytical and spectroscopic methods. All the compounds were evaluated in vitro against Staphylococcus aureus, Klebsiella pneumoniae, and Sarcina lutea. Among them, compound la with unsubstituted benzimidazole ring exhibited potent antibacterial activities. (C) 2008 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2008.05.009

文献信息

• Design, synthesis and antibacterial activity of novel actinonin derivatives containing benzimidazole heterocycles
  作者：Datong Zhang、Zongheng Wang、Weiren Xu、Fanggang Sun、Lida Tang、Jianwu Wang

  DOI：10.1016/j.ejmech.2008.05.009

  日期：2009.5

  A series of novel actinonin derivatives containing a benzimidazole heterocycle linked as amide isostere have been designed and synthesized. The structures of all the synthesized compounds were confirmed by analytical and spectroscopic methods. All the compounds were evaluated in vitro against Staphylococcus aureus, Klebsiella pneumoniae, and Sarcina lutea. Among them, compound la with unsubstituted benzimidazole ring exhibited potent antibacterial activities. (C) 2008 Elsevier Masson SAS. All rights reserved.