7-Methoxy-3-[4-(4-nitro-phenyl)-piperazin-1-yl]-1,4-dioxy-quinoxaline-2-carbonitrile

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 7-Methoxy-3-[4-(4-nitro-phenyl)-piperazin-1-yl]-1,4-dioxy-quinoxaline-2-carbonitrile
• 英文别名: 7-Methoxy-3-[4-(4-nitrophenyl)piperazin-1-yl]-1,4-dioxido-quinoxaline-1,4-diium-2-carbonitrile；7-methoxy-3-[4-(4-nitrophenyl)piperazin-1-yl]-1-oxido-4-oxoquinoxalin-4-ium-2-carbonitrile
• 化学式: C₂₀H₁₈N₆O₅
• 分子量: 422.4
• InChiKey: OROONQAAYQLBOY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  31
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  132
• 氢给体数：
  0
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  1-(4-硝基苯基)哌嗪 、 3-Chloro-7-methoxy-1,4-dioxy-quinoxaline-2-carbonitrile 在 sodium carbonate 作用下， 以 二氯甲烷 为溶剂， 生成 7-Methoxy-3-[4-(4-nitro-phenyl)-piperazin-1-yl]-1,4-dioxy-quinoxaline-2-carbonitrile
  参考文献：
  名称：

  Ortega; Montoya; Jaso, Pharmazie, 2001, vol. 56, # 3, p. 205 - 207

  摘要：

  DOI：

文献信息

• New quinoxalinecarbonitrile 1,4-di-N-oxide derivatives as hypoxic-cytotoxic agents
  作者：M Ortega

  DOI：10.1016/s0223-5234(00)00112-4

  日期：2000.1

  We report the synthesis and biological in vitro activities of 16 new 2-quinoxalinecarbonitrile 1,4-di-N-oxides. These compounds present new basic lateral chains (piperazines and anilines) in the 3 position as well as different substituents in the 6 and/or 7 positions of the quinoxaline ring. Among piperazine derivatives, 4b (a 7-chloro-3-(4-methylpiperaiin-1-yl) derivative) was the most potent (P = 0.5 x 10(-6) M). In general, aniline derivatives were more potent and selective than the former, compound 12b (with a 4-(methylphenyl)amino moiety in the 3 position and a chlorine atom in the 7 position) being the best one (P = 3 x 10-6 M and HCR > 16). (C) 2000 Editions scientifiques et medicales Elsevier SAS.
• Ortega; Montoya; Jaso, Pharmazie, 2001, vol. 56, # 3, p. 205 - 207
  作者：Ortega、Montoya、Jaso、Zarranz、Tirapu、Aldana、Monge

  DOI：——

  日期：——