2-N-(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-4-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine | 5838-06-2

• 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: 2-N-(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-4-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine
• CAS: 5838-06-2
• 化学式: C₂₁H₂₃ClN₈O₃
• 分子量: 470.918
• InChiKey: NRHWFMIZVWHIKX-UHFFFAOYSA-N

物化性质

• 沸点：
  648.5±55.0 °C(Predicted)
• 密度：
  1.43±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  33
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  133
• 氢给体数：
  3
• 氢受体数：
  10

反应信息

• 作为产物：
  描述：

  4,6-dichloro-N-(4-nitrophenyl)-1,3,5-triazin-2-amine 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 生成 2-N-(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-4-N-(4-nitrophenyl)-1,3,5-triazine-2,4,6-triamine
  参考文献：
  名称：

  Triaminotriazine DNA helicase inhibitors with antibacterial activity

  摘要：

  Screening of a chemical library in a DNA helicase assay involving the Pseudomonas aeruginosa DnaB helicase provided a triaminotriazine inhibitor with good antibacterial activity but associated cytotoxicity toward mammalian cells. Synthesis of analogs provided a few inhibitors that retained antibacterial activity and demonstrated a significant reduction in cytotoxicity. The impact of serum and initial investigations toward a mode of action highlight several features of this class of compounds as antibacterials. (C) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.11.076

文献信息

• Triaminotriazine DNA helicase inhibitors with antibacterial activity
  作者：Geoffrey A. McKay、Ranga Reddy、Francis Arhin、Adam Belley、Dario Lehoux、Greg Moeck、Ingrid Sarmiento、Thomas R. Parr、Philippe Gros、Jerry Pelletier、Adel Rafai Far

  DOI：10.1016/j.bmcl.2005.11.076

  日期：2006.3

  Screening of a chemical library in a DNA helicase assay involving the Pseudomonas aeruginosa DnaB helicase provided a triaminotriazine inhibitor with good antibacterial activity but associated cytotoxicity toward mammalian cells. Synthesis of analogs provided a few inhibitors that retained antibacterial activity and demonstrated a significant reduction in cytotoxicity. The impact of serum and initial investigations toward a mode of action highlight several features of this class of compounds as antibacterials. (C) 2005 Elsevier Ltd. All rights reserved.