acetic acid 5-morpholin-4-yl-11H-indeno[1,2-c]isoquinolin-11-yl ester | 1279717-06-4

• 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: acetic acid 5-morpholin-4-yl-11H-indeno[1,2-c]isoquinolin-11-yl ester
• 英文别名: (5-morpholin-4-yl-11H-indeno[1,2-c]isoquinolin-11-yl) acetate
• CAS: 1279717-06-4
• 化学式: C₂₂H₂₀N₂O₃
• 分子量: 360.412
• InChiKey: JRWZRWXGVLFDKZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  51.7
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  1-Chlor-11-keto-indeno<1.2-c>isochinolin 在 吡啶 、 sodium tetrahydroborate 、 potassium carbonate 作用下， 以 甲醇 、 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 反应 6.0h， 生成 acetic acid 5-morpholin-4-yl-11H-indeno[1,2-c]isoquinolin-11-yl ester
  参考文献：
  名称：

  Design, synthesis and docking study of 5-amino substituted indeno[1,2-c]isoquinolines as novel topoisomerase I inhibitors

  摘要：

  Various 5-amino group-substituted indeno[1,2-c]isoquinolines 7a-f were synthesized based on the previous QSAR study as rigid structures of 3-arylisoquinolines. Amino group-substituted compounds, especially 5-piperazinyl indeno[1,2-c]isoquinoline 7f, displayed potent topoisomerase I inhibitory activity as well as cytotoxicities against five different tumor cell lines. A Surflex-Dock docking model of 7f was also studied. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2011.01.064

文献信息

• Design, synthesis and docking study of 5-amino substituted indeno[1,2-c]isoquinolines as novel topoisomerase I inhibitors
  作者：Daulat Bikram Khadka、Quynh Manh Le、Su Hui Yang、Hue Thi My Van、Thanh Nguyen Le、Suk Hee Cho、Youngjoo Kwon、Kyung-Tae Lee、Eung-Seok Lee、Won-Jea Cho

  DOI：10.1016/j.bmc.2011.01.064

  日期：2011.3

  Various 5-amino group-substituted indeno[1,2-c]isoquinolines 7a-f were synthesized based on the previous QSAR study as rigid structures of 3-arylisoquinolines. Amino group-substituted compounds, especially 5-piperazinyl indeno[1,2-c]isoquinoline 7f, displayed potent topoisomerase I inhibitory activity as well as cytotoxicities against five different tumor cell lines. A Surflex-Dock docking model of 7f was also studied. (C) 2011 Elsevier Ltd. All rights reserved.