N,N'-Bis-(4-chloro-phenyl)-N''-(2-morpholin-4-yl-ethyl)-[1,3,5]triazine-2,4,6-triamine

• 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,N'-Bis-(4-chloro-phenyl)-N''-(2-morpholin-4-yl-ethyl)-[1,3,5]triazine-2,4,6-triamine
• 英文别名: N2,N4-bis(4-chlorophenyl)-N6-(2-morpholinoethyl)-1,3,5-triazine-2,4,6-triamine；2-N,4-N-bis(4-chlorophenyl)-6-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine
• 化学式: C₂₁H₂₃Cl₂N₇O
• 分子量: 460.366
• InChiKey: MBHZGLCJWURYFK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  31
• 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：
  87.2
• 氢给体数：
  3
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  N-(2-氨基乙基)吗啉 、 6-chloro-N²,N⁴-bis(4-chlorophenyl)-1,3,5-triazine-2,4-diamine 以 丙酮 为溶剂， 生成 N,N'-Bis-(4-chloro-phenyl)-N''-(2-morpholin-4-yl-ethyl)-[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