2,4-dimethyl-9-(phenylamino)pyrimido[4,5-c]isoquinoline-1,3,7,10(2H,4H)-tetraone | 1190388-02-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 异喹啉及其衍生物
• 英文名称: 2,4-dimethyl-9-(phenylamino)pyrimido[4,5-c]isoquinoline-1,3,7,10(2H,4H)-tetraone
• CAS: 1190388-02-3
• 化学式: C₁₉H₁₄N₄O₄
• 分子量: 362.345
• InChiKey: XPIWZBJINPKWRT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.01
• 重原子数：
  27.0
• 可旋转键数：
  2.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  103.06
• 氢给体数：
  1.0
• 氢受体数：
  8.0

反应信息

• 作为产物：
  描述：

  苯胺 、 2,4-dimethyl-2H,4H-pyrimido[4,5-c]-isoquinoline-1,3,7,10-tetraone 以 乙醇 为溶剂， 反应 24.0h， 以67%的产率得到2,4-dimethyl-2H,4H-8-(phenylamino)pyrimido[4,5-c]isoquinoline-1,3,7,10-tetraone
  参考文献：
  名称：

  Synthesis and antitumor evaluation of 8-phenylaminopyrimido[4,5-c]isoquinolinequinones

  摘要：

  A series of 8-phenylaminopyrimido[4,5-c]isoquinoline-7,10-quinone derivatives were prepared by regioselective amination reaction of pyrimido[4,5-c] isoquinoline-7,10-quinones with arylamines in the presence of a Lewis acid catalyst. Preliminary evaluation of the members of the series against cancer cell lines and assays of activation of their cytotoxic activity on K562 cells with ascorbic acid are reported. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.07.041