7-methyl-3-methyl-1,4-dioxy-quinoxaline-2-ylmethylene hydrazide isonicotinic acid | 1314013-07-4

• 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: 7-methyl-3-methyl-1,4-dioxy-quinoxaline-2-ylmethylene hydrazide isonicotinic acid
• CAS: 1314013-07-4
• 化学式: C₁₇H₁₅N₅O₃
• 分子量: 337.338
• InChiKey: LIUBWQLVSFTRSF-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.88
• 重原子数：
  25.0
• 可旋转键数：
  3.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  108.23
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为产物：
  描述：

  7-methyl-2,3-dimethylquinoxaline-1,4-di-N-oxide 在 selenium(IV) oxide 、 sodium metabisulfite 作用下， 以 四氢呋喃 、 乙酸乙酯 为溶剂， 生成 7-methyl-3-methyl-1,4-dioxy-quinoxaline-2-ylmethylene hydrazide isonicotinic acid
  参考文献：
  名称：

  New 1,4-di-N-oxide-quinoxaline-2-ylmethylene isonicotinic acid hydrazide derivatives as anti-Mycobacterium tuberculosis agents

  摘要：

  The increase in the prevalence of drug-resistant tuberculosis cases demonstrates the need of discovering new and promising compounds with antimycobacterial activity. As a continuation of our research and with the aim of identifying new antitubercular drugs candidates, a new series of quinoxaline 1,4-di-N-oxide derivatives containing isoniazid was synthesized and evaluated for in vitro anti-tuberculosis activity against Mycobacterium tuberculosis H37Rv strain. Moreover, various drug-like properties of new compounds were predicted. Taking into account the biological results and the promising drug-likeness profile of these compounds, make them valid leads for further experimental research. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.04.072