8-hydroxy-2-methyl-5,7-dinitro-quinazoline | 1226498-72-1

• 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: 8-hydroxy-2-methyl-5,7-dinitro-quinazoline
• 英文别名: 2-Methyl-5,7-dinitroquinazolin-8-ol；2-methyl-5,7-dinitroquinazolin-8-ol
• CAS: 1226498-72-1
• 化学式: C₉H₆N₄O₅
• 分子量: 250.17
• InChiKey: SRKHADAIYOZEHF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  18
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.11
• 拓扑面积：
  138
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  8-hydroxy-2-methyl-5,7-dinitro-quinazoline 在 盐酸 、 10% palladium on carbon 、 氢气 作用下， 以 水 为溶剂， 生成
  参考文献：
  名称：

  Investigating the anti-proliferative activity of styrylazanaphthalenes and azanaphthalenediones

  摘要：

  A group of styrylazanaphthalenes and azanaphthalenediones were synthesized and tested for their anti-proliferative activity. Most of the compounds were obtained with the use of microwave-assisted synthesis. The lipophilicity of the compounds was measured by RP-HPLC and their anti-proliferative activity was assayed against the human SK-N-MC neuroepithelioma and HCT116 human colon carcinoma cell lines. Active compounds were also tested in clonogenity and comet assays. Several quinazolinone and styrylquinazoline analogues were found to have markedly greater anti-proliferative activity than desferoxamine and cis-platin. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.02.025
• 作为产物：
  描述：

  8-hydroxy-2-methylquinazoline 在 硫酸 、 硝酸 作用下， 反应 2.0h， 以85%的产率得到8-hydroxy-2-methyl-5,7-dinitro-quinazoline
  参考文献：
  名称：

  Investigating the anti-proliferative activity of styrylazanaphthalenes and azanaphthalenediones

  摘要：

  A group of styrylazanaphthalenes and azanaphthalenediones were synthesized and tested for their anti-proliferative activity. Most of the compounds were obtained with the use of microwave-assisted synthesis. The lipophilicity of the compounds was measured by RP-HPLC and their anti-proliferative activity was assayed against the human SK-N-MC neuroepithelioma and HCT116 human colon carcinoma cell lines. Active compounds were also tested in clonogenity and comet assays. Several quinazolinone and styrylquinazoline analogues were found to have markedly greater anti-proliferative activity than desferoxamine and cis-platin. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.02.025