N-butylpyridoquinoxaline 1,4-dioxide | 1256486-17-5

• 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: N-butylpyridoquinoxaline 1,4-dioxide
• 英文别名: NBPQD；2-butyl-1,2-dihydro-1-oxopyrido[3,4-b]quinoxaline 5,10-dioxide；2-butyl-5-oxido-10-oxopyrido[4,3-b]quinoxalin-10-ium-1-one
• CAS: 1256486-17-5
• 化学式: C₁₅H₁₅N₃O₃
• 分子量: 285.302
• InChiKey: TYSWENODNVARKK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  66.7
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-甲基-2-喹喔啉羧酸乙酯 1,4-二氧化物 在 对甲苯磺酸 作用下， 以 氯仿 、 N,N-二甲基甲酰胺 、 异丙醇 、 苯 为溶剂， 反应 24.0h， 生成 N-butylpyridoquinoxaline 1,4-dioxide
  参考文献：
  名称：

  Synthesis and UV absorption of new conjugated quinoxaline 1,4-dioxide derivatives anticipated as tumor imaging and cytotoxic agents

  摘要：

  New conjugated arylidine, enamine, and annelated pyrido derivatives of quinoxaline 1,4-dioxide were synthesized via utilization of an active allylic methyl group. Biodistribution studies were carried out by injecting a solution of an (125)I derivative of an enamine-substituted quinoxaline 1,4-dioxide in normal and tumor-bearing mice. The uptake in solid tumor was over 6% of the injected dose per gram tissue body weight at 4 h post injection. These data revealed localization of the tracer in the tumor tissues with a high percentage sufficient to show a radiotherapeutic effect and showed that this is a promising tool for diagnosis. Also the radiotoxicity of the (125)I-substituted compound on Ehrlich ascites carcinoma cells may encourage this behavior.

  DOI：

  10.1007/s00706-010-0386-1