1-Chloro-3-naphthalen-1-yl-isoquinoline | 651052-84-5

• 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-Chloro-3-naphthalen-1-yl-isoquinoline
• 英文别名: 1-Chloro-3-(naphthalen-1-yl)isoquinoline；1-chloro-3-naphthalen-1-ylisoquinoline
• CAS: 651052-84-5
• 化学式: C₁₉H₁₂ClN
• 分子量: 289.764
• InChiKey: HBQPXNHMZDVDNG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  21
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  12.9
• 氢给体数：
  0
• 氢受体数：
  1

反应信息

• 作为反应物：
  描述：

  N-甲基高哌嗪 、 1-Chloro-3-naphthalen-1-yl-isoquinoline 在 盐酸 、 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 1-(4-Methyl-[1,4]diazepan-1-yl)-3-naphthalen-1-yl-isoquinoline
  参考文献：
  名称：

  Synthesis of new 3-Arylisoquinolinamines: effect on topoisomerase I inhibition and cytotoxicity

  摘要：

  To investigate the structure-activity relationships of 3-arylisoquinolines, diverse substituted 3-aryisoquinolinamines were synthesized and tested in vitro antitumor activity against four tumor cell lines. Some of the compounds showed potent topoisomerase I inhibitory activity. Docking study of 7d with topoisomerase I-DNA complex was also performed. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.09.001
• 作为产物：
  描述：

  氰基萘 在 正丁基锂 、 三氯氧磷 作用下， 以 四氢呋喃 为溶剂， 生成 1-Chloro-3-naphthalen-1-yl-isoquinoline
  参考文献：
  名称：

  Synthesis of new 3-Arylisoquinolinamines: effect on topoisomerase I inhibition and cytotoxicity

  摘要：

  To investigate the structure-activity relationships of 3-arylisoquinolines, diverse substituted 3-aryisoquinolinamines were synthesized and tested in vitro antitumor activity against four tumor cell lines. Some of the compounds showed potent topoisomerase I inhibitory activity. Docking study of 7d with topoisomerase I-DNA complex was also performed. (C) 2003 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2003.09.001

文献信息

• Synthesis of new 3-Arylisoquinolinamines: effect on topoisomerase I inhibition and cytotoxicity
  作者：Won-Jea Cho、Sun Young Min、Thanh Nguyen Le、Tae Sung Kim

  DOI：10.1016/j.bmcl.2003.09.001

  日期：2003.12

  To investigate the structure-activity relationships of 3-arylisoquinolines, diverse substituted 3-aryisoquinolinamines were synthesized and tested in vitro antitumor activity against four tumor cell lines. Some of the compounds showed potent topoisomerase I inhibitory activity. Docking study of 7d with topoisomerase I-DNA complex was also performed. (C) 2003 Elsevier Ltd. All rights reserved.