1-[8-(Aziridin-1-yl)-7-hydroxyoctyl]pyrrolo[3,2-g]isoquinoline-4,9-dione | 1310564-48-7

• 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: 1-[8-(Aziridin-1-yl)-7-hydroxyoctyl]pyrrolo[3,2-g]isoquinoline-4,9-dione
• CAS: 1310564-48-7
• 化学式: C₂₁H₂₅N₃O₃
• 分子量: 367.448
• InChiKey: XCBFJKMPYXWURA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  27
• 可旋转键数：
  9
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  75.2
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1H-pyrrolo[3,2-g]isoquinoline-4,9-dione 在 sodium hydride 、 三乙胺 作用下， 生成 1-[8-(Aziridin-1-yl)-7-hydroxyoctyl]pyrrolo[3,2-g]isoquinoline-4,9-dione
  参考文献：
  名称：

  Synthesis and antiproliferative activity of new cytotoxic azanaphthoquinone pyrrolo-annelated derivatives: Part II

  摘要：

  A series of 6-azanaphthoquinone pyrrolo-annelated derivatives carrying different basic side chains have been synthesized. The antiproliferative activities of all compounds were evaluated on at least four different cell lines with Mitoxantrone as reference compound. Cytotoxic effects and DNA intercalation behavior were investigated. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.03.013