1-(4-(4,6-Bis(4-bromophenylamino)-1,3,5-triazin-2-ylamino)phenyl)ethanone | 84688-79-9

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 1-(4-(4,6-Bis(4-bromophenylamino)-1,3,5-triazin-2-ylamino)phenyl)ethanone
• 英文别名: 1-[4-[[4,6-bis(4-bromoanilino)-1,3,5-triazin-2-yl]amino]phenyl]ethanone
• CAS: 84688-79-9
• 化学式: C₂₃H₁₈Br₂N₆O
• 分子量: 554.244
• InChiKey: MAVHNXMRNOODOU-UHFFFAOYSA-N

物化性质

• 熔点：
  273 °C(Solv: ethanol (64-17-5))
• 沸点：
  697.1±65.0 °C(Predicted)
• 密度：
  1.673±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  6.7
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  91.8
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  氨基硫脲 、 1-(4-(4,6-Bis(4-bromophenylamino)-1,3,5-triazin-2-ylamino)phenyl)ethanone 以 乙醇 为溶剂， 以77.1%的产率得到
  参考文献：
  名称：

  Langalia, N. A.; Thaker, K. A., Journal of the Indian Chemical Society, 1982, vol. 59, # 9, p. 1099 - 1101

  摘要：

  DOI：
• 作为产物：
  描述：

  N-(4-bromophenyl)-4,6-dichloro-1,3,5-triazin-2-amine 在 N,N-二异丙基乙胺 作用下， 以 四氢呋喃 为溶剂， 生成 1-(4-(4,6-Bis(4-bromophenylamino)-1,3,5-triazin-2-ylamino)phenyl)ethanone
  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

• LANGALIA, N. A.;THAKER, K. A., J. INDIAN CHEM. SOC., 1982, 59, N 9, 1099-1101
  作者：LANGALIA, N. A.、THAKER, K. A.

  DOI：——

  日期：——
• 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.
• Langalia, N. A.; Thaker, K. A., Journal of the Indian Chemical Society, 1982, vol. 59, # 9, p. 1099 - 1101
  作者：Langalia, N. A.、Thaker, K. A.

  DOI：——

  日期：——