1,4-di-N-oxide-3-methyl-7-trifluoromethylquinoxaline-2-carboxylic acid 2-benzylamide | 1228550-68-2

• 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: 1,4-di-N-oxide-3-methyl-7-trifluoromethylquinoxaline-2-carboxylic acid 2-benzylamide
• 英文别名: N-benzyl-3-methyl-1,4-dioxido-7-(trifluoromethyl)quinoxaline-1,4-diium-2-carboxamide；N-benzyl-3-methyl-4-oxido-1-oxo-7-(trifluoromethyl)quinoxalin-1-ium-2-carboxamide
• CAS: 1228550-68-2
• 化学式: C₁₈H₁₄F₃N₃O₃
• 分子量: 377.323
• InChiKey: WHWSRQFFMZUIGB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.8
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  75.5
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  乙酰乙酰苄胺（AABA） 、 5-trifluoromethylbenzofuroxan 在 C.I.酸性橙108 、 calcium chloride 作用下， 以 甲醇 为溶剂， 以28%的产率得到1,4-di-N-oxide-3-methyl-7-trifluoromethylquinoxaline-2-carboxylic acid 2-benzylamide
  参考文献：
  名称：

  New 3-methylquinoxaline-2-carboxamide 1,4-di-N-oxide derivatives as anti-Mycobacterium tuberculosis agents

  摘要：

  Mycobacterium tuberculosis (M.Tb) is a bacillus capable of causing a chronic and fatal condition in humans known as tuberculosis ( TB). It is estimated that there are 8 million new cases of TB per year and 3.1 million infected people die annually. Thirty-six new amide quinoxaline 1,4-di-N-oxide derivatives have been synthesized and evaluated as potential anti-tubercular agents, obtaining biological values similar to the reference compound, Rifampin (RIF). (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2010.02.024

文献信息

• New 3-methylquinoxaline-2-carboxamide 1,4-di-N-oxide derivatives as anti-Mycobacterium tuberculosis agents
  作者：Saioa Ancizu、Elsa Moreno、Beatriz Solano、Raquel Villar、Asunción Burguete、Enrique Torres、Silvia Pérez-Silanes、Ignacio Aldana、Antonio Monge

  DOI：10.1016/j.bmc.2010.02.024

  日期：2010.4

  Mycobacterium tuberculosis (M.Tb) is a bacillus capable of causing a chronic and fatal condition in humans known as tuberculosis ( TB). It is estimated that there are 8 million new cases of TB per year and 3.1 million infected people die annually. Thirty-six new amide quinoxaline 1,4-di-N-oxide derivatives have been synthesized and evaluated as potential anti-tubercular agents, obtaining biological values similar to the reference compound, Rifampin (RIF). (C) 2010 Elsevier Ltd. All rights reserved.