2-(2-(4-aminophenyl)-1-hydroxy-6-nitro-1H-benzo[d]imidazol-4-yl)acetic acid | 1239440-28-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并咪唑类
• 英文名称: 2-(2-(4-aminophenyl)-1-hydroxy-6-nitro-1H-benzo[d]imidazol-4-yl)acetic acid
• CAS: 1239440-28-8
• 化学式: C₁₅H₁₂N₄O₅
• 分子量: 328.284
• InChiKey: UAGXRRRANSOCMH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.06
• 重原子数：
  24.0
• 可旋转键数：
  4.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  144.51
• 氢给体数：
  3.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  、 2-(2-(4-aminophenyl)-1-hydroxy-6-nitro-1H-benzo[d]imidazol-4-yl)acetic acid 在 吡啶 作用下， 生成
  参考文献：
  名称：

  N-Hydroxybenzimidazole inhibitors of ExsA MAR transcription factor in Pseudomonas aeruginosa: In vitro anti-virulence activity and metabolic stability

  摘要：

  ExsA is a multiple adaptational response (MAR) transcription factor, regulating the expression of a virulence determinant, the type III secretion system (T3SS) in Pseudomonas aeruginosa. Non-cytotoxic, non-antibacterial N-hydroxybenzimidazoles were identified as effective inhibitors of ExsA-DNA binding, and their potential utility as anti-virulence agents for P. aeruginosa was demonstrated in a whole cell assay. Select N-hydroxybenzimidazole inhibitors were stable in an in vitro human liver microsomal assay. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.014
• 作为产物：
  描述：

  以 乙醇 、 N,N-二甲基甲酰胺 为溶剂， 生成 2-(2-(4-aminophenyl)-1-hydroxy-6-nitro-1H-benzo[d]imidazol-4-yl)acetic acid
  参考文献：
  名称：

  N-Hydroxybenzimidazole inhibitors of ExsA MAR transcription factor in Pseudomonas aeruginosa: In vitro anti-virulence activity and metabolic stability

  摘要：

  ExsA is a multiple adaptational response (MAR) transcription factor, regulating the expression of a virulence determinant, the type III secretion system (T3SS) in Pseudomonas aeruginosa. Non-cytotoxic, non-antibacterial N-hydroxybenzimidazoles were identified as effective inhibitors of ExsA-DNA binding, and their potential utility as anti-virulence agents for P. aeruginosa was demonstrated in a whole cell assay. Select N-hydroxybenzimidazole inhibitors were stable in an in vitro human liver microsomal assay. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.04.014

文献信息

• [EN] TRANSCRIPTION FACTOR MODULATING COMPOUNDS AND METHODS OF USE THEREOF<br/>[FR] COMPOSÉS MODULATEURS DE FACTEUR DE TRANSCRIPTION ET LEURS PROCÉDÉS D'UTILISATION
  申请人：PARATEK PHARM INNC

  公开号：WO2010124097A3

  公开（公告）日：2011-02-17