3-chloro-N-(2-(quinazolin-4-yl)hydrazinecarbonothioyl)benzamide | 1394045-49-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: 3-chloro-N-(2-(quinazolin-4-yl)hydrazinecarbonothioyl)benzamide
• 英文别名: 3-chloro-N-[(quinazolin-4-ylamino)carbamothioyl]benzamide
• CAS: 1394045-49-8
• 化学式: C₁₆H₁₂ClN₅OS
• 分子量: 357.823
• InChiKey: RSDIVEQIJJEDJN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.4
• 重原子数：
  24
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  111
• 氢给体数：
  3
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-羟基喹唑啉 在 五氯化磷 、 一水合肼 、 三氯氧磷 作用下， 以 1,4-二氧六环 、 乙醇 为溶剂， 反应 4.0h， 生成 3-chloro-N-(2-(quinazolin-4-yl)hydrazinecarbonothioyl)benzamide
  参考文献：
  名称：

  Synthesis and antitumor activity of novel quinazoline derivatives containing thiosemicarbazide moiety

  摘要：

  Series of novel derivatives of quinazoline containing thiosemicarbazide moiety 5 and 9 have been synthesized and tested for their antitumor activities in vitro against a panel of five human cancer cell lines. Bioassay results indicated that most of the prepared compounds exhibited cytotoxicity against various cancer cells. From the structure activity relationships it was found that unsubstituted quinazoline ring and benzene ring or halogen substituted benzene ring in quinazoline derivatives 5 and 9 would be the most favorable for their antitumor activity. (C) 2012 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2012.06.003

文献信息

• Synthesis and antitumor activity of novel quinazoline derivatives containing thiosemicarbazide moiety
  作者：Junbo He、Xiaoguo Wang、Xiaoqin Zhao、YongJu Liang、Hongwu He、Liwu Fu

  DOI：10.1016/j.ejmech.2012.06.003

  日期：2012.8

  Series of novel derivatives of quinazoline containing thiosemicarbazide moiety 5 and 9 have been synthesized and tested for their antitumor activities in vitro against a panel of five human cancer cell lines. Bioassay results indicated that most of the prepared compounds exhibited cytotoxicity against various cancer cells. From the structure activity relationships it was found that unsubstituted quinazoline ring and benzene ring or halogen substituted benzene ring in quinazoline derivatives 5 and 9 would be the most favorable for their antitumor activity. (C) 2012 Elsevier Masson SAS. All rights reserved.