| 957199-79-0

• 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
• CAS: 957199-79-0
• 化学式: C₁₅H₁₆N₄O₂
• 分子量: 284.318
• InChiKey: VGHCYBHWKVZCSP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.22
• 重原子数：
  21.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  70.72
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  、 溴乙酸乙酯 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 以26%的产率得到ethyl 2-[[2-[2-(dimethylamino)ethyl]-4-oxopyrrolo[3,4-g]isoquinolin-9-ylidene]amino]oxyacetate
  参考文献：
  名称：

  Synthesis and biological evaluation of novel cytotoxic azanaphthoquinone annelated pyrrolo oximes

  摘要：

  Two series of azanaphthoquinone annelated pyrrolo oximes have been synthesized. The antiproliferative activities of 10 compounds were evaluated on at least four different cell lines. One series of pyrrolo derivatives showed high cytotoxic activity. The effects on cell cycle and caspase activity were investigated. Compounds 9a and 9b showed an accumulation of cells in G2/M phase. Substantial and dose-dependent caspase activity was found after treatment of cells with 9a and 9b. This indicates an apoptosis inducing property of these compounds. (C) 2007 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2007.09.054
• 作为产物：
  描述：

  2-[3-(dimethylamino)ethyl]-2H-pyrrolo[3,4-g]isoquinoline-4,9-dione 在 氢氧化钾 、 盐酸羟胺 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Synthesis and biological evaluation of novel cytotoxic azanaphthoquinone annelated pyrrolo oximes

  摘要：

  Two series of azanaphthoquinone annelated pyrrolo oximes have been synthesized. The antiproliferative activities of 10 compounds were evaluated on at least four different cell lines. One series of pyrrolo derivatives showed high cytotoxic activity. The effects on cell cycle and caspase activity were investigated. Compounds 9a and 9b showed an accumulation of cells in G2/M phase. Substantial and dose-dependent caspase activity was found after treatment of cells with 9a and 9b. This indicates an apoptosis inducing property of these compounds. (C) 2007 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2007.09.054