3,7-dimethylquinoxaline-2-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)amide 1,4-di-N-oxide | 1253059-14-1

• 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: 3,7-dimethylquinoxaline-2-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)amide 1,4-di-N-oxide
• 英文别名: N-(1,3-benzodioxol-5-ylmethyl)-3,7-dimethyl-1,4-dioxido-quinoxaline-1,4-diium-2-carboxamide；N-(1,3-benzodioxol-5-ylmethyl)-3,7-dimethyl-4-oxido-1-oxoquinoxalin-1-ium-2-carboxamide
• CAS: 1253059-14-1
• 化学式: C₁₉H₁₇N₃O₅
• 分子量: 367.361
• InChiKey: LYGICFQJCKKFAG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  27
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  93.9
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-(1,3-苯并二氧戊环-5-基甲基)-3-氧代-丁酰胺 、 6-methylbenzofuroxan 在 C.I.酸性橙108 、 calcium chloride 作用下， 以 甲醇 为溶剂， 以21%的产率得到3,7-dimethylquinoxaline-2-carboxylic acid (benzo[1,3]dioxol-5-ylmethyl)amide 1,4-di-N-oxide
  参考文献：
  名称：

  Synthesis and antimycobacterial activity of new quinoxaline-2-carboxamide 1,4-di-N-oxide derivatives

  摘要：

  As a continuation of our research and with the aim of obtaining new anti-tuberculosis agents which can improve the current chemotherapeutic anti-tuberculosis treatments, forty-three new quinoxaline-2-carboxamide 1,4-di-N-oxide derivatives were synthesized and evaluated for in vitro anti-tuberculosis activity against Mycobacterium tuberculosis strain H(37)Rv. Active compounds were also screened to assess toxicity to a VERO cell line. Results indicate that compounds with a methyl moiety substituted in position 3 and unsubstituted benzyl substituted on the carboxamide group provide an efficient approach for further development of anti-tuberculosis agents. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.06.036

文献信息

• Synthesis and antimycobacterial activity of new quinoxaline-2-carboxamide 1,4-di-N-oxide derivatives
  作者：Elsa Moreno、Saioa Ancizu、Silvia Pérez-Silanes、Enrique Torres、Ignacio Aldana、Antonio Monge

  DOI：10.1016/j.ejmech.2010.06.036

  日期：2010.10

  As a continuation of our research and with the aim of obtaining new anti-tuberculosis agents which can improve the current chemotherapeutic anti-tuberculosis treatments, forty-three new quinoxaline-2-carboxamide 1,4-di-N-oxide derivatives were synthesized and evaluated for in vitro anti-tuberculosis activity against Mycobacterium tuberculosis strain H(37)Rv. Active compounds were also screened to assess toxicity to a VERO cell line. Results indicate that compounds with a methyl moiety substituted in position 3 and unsubstituted benzyl substituted on the carboxamide group provide an efficient approach for further development of anti-tuberculosis agents. (C) 2010 Elsevier Masson SAS. All rights reserved.