N²,N⁴,N⁶-tris-(3-chloro-phenyl)-[1,3,5]triazine-2,4,6-triyltriamine | 21840-48-2

• 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: N²,N⁴,N⁶-tris-(3-chloro-phenyl)-[1,3,5]triazine-2,4,6-triyltriamine
• 英文别名: N²,N⁴,N⁶-Tris-(3-chlor-phenyl)-[1,3,5]triazin-2,4,6-triyltriamin；N,N',N''-tris(3-chlorophenyl)-1,3,5-triazine-2,4,6-triamine；2-N,4-N,6-N-tris(3-chlorophenyl)-1,3,5-triazine-2,4,6-triamine
• CAS: 21840-48-2
• 化学式: C₂₁H₁₅Cl₃N₆
• mdl: MFCD00504072
• 分子量: 457.749
• InChiKey: SFGFXRVWXGNXMZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  7.5
• 重原子数：
  30
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  74.8
• 氢给体数：
  3
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  anilazine 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 N²,N⁴,N⁶-tris-(3-chloro-phenyl)-[1,3,5]triazine-2,4,6-triyltriamine
  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

• Microwave Assisted Synthesis of 2,4,6-Triarylamino-1,3,5-triazines as Potential UV Absorbent
  作者：Yaowu Sha、Yuyi Dong

  DOI：10.1081/scc-120021979

  日期：2003.1.8

  2,4,6-Triarylamino-1,3,5-triazines was synthesized in a few minutes by reaction of cyanuric chloride with aromatic amines under microwave irradiation. This method is featured with rapid reaction, convenient operation, high yield, and clean. UV-absorption was tested for each compound.
• 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.