4-Benzylamino-3-nitro-benzamide | 68502-38-5

• 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: 4-Benzylamino-3-nitro-benzamide
• 英文别名: 4-(Benzylamino)-3-nitrobenzamide
• CAS: 68502-38-5
• 化学式: C₁₄H₁₃N₃O₃
• mdl: MFCD02577641
• 分子量: 271.276
• InChiKey: ZZCWVIZWCXDOOR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.7
• 重原子数：
  20
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.071
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  4-Benzylamino-3-nitro-benzamide 生成 3-Hydroxy-2-phenylbenzimidazole-5-carboxamide
  参考文献：
  名称：

  Novel anti-infection agents: Small-molecule inhibitors of bacterial transcription factors

  摘要：

  Structure-based drug design was utilized to identify potent small-molecule inhibitors of proteins within the AraC family of bacterial transcription factors, which control virulence in medically important microbes. These agents represent a novel approach to fight infectious disease and may be less likely to promote resistance development. These compounds lack intrinsic antibacterial activity in vitro and were able to limit a bacterial infection in a mouse model of urinary tract infection. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.07.072
• 作为产物：
  描述：

  4-氟-3-硝基苯甲酰胺 、 苄胺 在 sodium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 4-Benzylamino-3-nitro-benzamide
  参考文献：
  名称：

  Novel anti-infection agents: Small-molecule inhibitors of bacterial transcription factors

  摘要：

  Structure-based drug design was utilized to identify potent small-molecule inhibitors of proteins within the AraC family of bacterial transcription factors, which control virulence in medically important microbes. These agents represent a novel approach to fight infectious disease and may be less likely to promote resistance development. These compounds lack intrinsic antibacterial activity in vitro and were able to limit a bacterial infection in a mouse model of urinary tract infection. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.07.072

文献信息

• DD137939
  申请人：——

  公开号：——

  公开（公告）日：——
• DD133810
  申请人：——

  公开号：——

  公开（公告）日：——
• Novel anti-infection agents: Small-molecule inhibitors of bacterial transcription factors
  作者：Todd E. Bowser、Victoria J. Bartlett、Mark C. Grier、Atul K. Verma、Taduesz Warchol、Stuart B. Levy、Michael N. Alekshun

  DOI：10.1016/j.bmcl.2007.07.072

  日期：2007.10

  Structure-based drug design was utilized to identify potent small-molecule inhibitors of proteins within the AraC family of bacterial transcription factors, which control virulence in medically important microbes. These agents represent a novel approach to fight infectious disease and may be less likely to promote resistance development. These compounds lack intrinsic antibacterial activity in vitro and were able to limit a bacterial infection in a mouse model of urinary tract infection. (c) 2007 Elsevier Ltd. All rights reserved.