3-chloro-N-(3-cyano-4-((2-(diethylamino)benzo[d]thiazol-6-yl)amino)-6-methylquinolin-7-yl)propanamide | 1234873-03-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 3-chloro-N-(3-cyano-4-((2-(diethylamino)benzo[d]thiazol-6-yl)amino)-6-methylquinolin-7-yl)propanamide
• CAS: 1234873-03-0
• 化学式: C₂₅H₂₅ClN₆OS
• 分子量: 493.032
• InChiKey: DUBGIEVJNKWZNS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.18
• 重原子数：
  34.0
• 可旋转键数：
  8.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.28
• 拓扑面积：
  93.94
• 氢给体数：
  2.0
• 氢受体数：
  7.0

反应信息

• 作为反应物：
  描述：

  哌啶 、 3-chloro-N-(3-cyano-4-((2-(diethylamino)benzo[d]thiazol-6-yl)amino)-6-methylquinolin-7-yl)propanamide 在 potassium iodide 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 生成
  参考文献：
  名称：

  Design, synthesis and antitumor activity of 6,7-disubstituted-4-(heteroarylamino)quinoline-3-carbonitrile derivatives

  摘要：

  A series of new 6,7-disubstituted-4-(benzothiazol-6-ylamino)quinoline-3-carbonitrile derivatives (12a-I) were synthesized. The cytotoxicity of 12 new compounds was evaluated in AGS, HepG2 and HT-29 cell lines The results showed that compounds 12g, 12h, 12i, 12k and 121 displayed more potent cytotoxic activities than Bosutinib, compound 121 exhibited the most potent antitumor activity among the tested compounds. (C) 2010 Qi Dong You Published by Elsevier B V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2010.01.016
• 作为产物：
  描述：

  N,N-diethyl-6-nitrobenzo[d]thiazol-2-amine 在 4-二甲氨基吡啶 、 铁粉 、 溶剂黄146 作用下， 以 四氢呋喃 、 甲醇 、 N,N-二甲基甲酰胺 、 异丙醇 为溶剂， 反应 19.0h， 生成 3-chloro-N-(3-cyano-4-((2-(diethylamino)benzo[d]thiazol-6-yl)amino)-6-methylquinolin-7-yl)propanamide
  参考文献：
  名称：

  Design, synthesis and antitumor activity of 6,7-disubstituted-4-(heteroarylamino)quinoline-3-carbonitrile derivatives

  摘要：

  A series of new 6,7-disubstituted-4-(benzothiazol-6-ylamino)quinoline-3-carbonitrile derivatives (12a-I) were synthesized. The cytotoxicity of 12 new compounds was evaluated in AGS, HepG2 and HT-29 cell lines The results showed that compounds 12g, 12h, 12i, 12k and 121 displayed more potent cytotoxic activities than Bosutinib, compound 121 exhibited the most potent antitumor activity among the tested compounds. (C) 2010 Qi Dong You Published by Elsevier B V. on behalf of Chinese Chemical Society. All rights reserved.

  DOI：

  10.1016/j.cclet.2010.01.016