N-[5-chloro-6-(4-methyl-1-piperazinyl)-3-nitropyrazinyl]acetamide | 89083-22-7

• 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: N-[5-chloro-6-(4-methyl-1-piperazinyl)-3-nitropyrazinyl]acetamide
• 英文别名: N-(5-Chloro-6-(4-methylpiperazin-1-yl)-3-nitropyrazin-2-yl)acetamide；N-[5-chloro-6-(4-methylpiperazin-1-yl)-3-nitropyrazin-2-yl]acetamide
• CAS: 89083-22-7
• 化学式: C₁₁H₁₅ClN₆O₃
• 分子量: 314.731
• InChiKey: DMWDKEWOOUVQSH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.55
• 拓扑面积：
  107
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  N-(5,6-dichloro-3-nitropyrazinyl)acetamide 、 N-甲基哌嗪 在 三乙胺 作用下， 以 异丙醇 为溶剂， 反应 1.0h， 生成 N-[5-chloro-6-(4-methyl-1-piperazinyl)-3-nitropyrazinyl]acetamide
  参考文献：
  名称：

  Synthesis and activity of novel nitropyrazines for use as hypoxic cell radiosensitizers

  摘要：

  A series of eight novel nitropyrazines has been prepared by oxidation of sulfoximine intermediates. The partition coefficient, one-electron reduction potential, sensitizer enhancement ratio, and chronic and acute aerobic cytotoxicity have been measured for each. Two representatives of this series were tested in the Ames test and were not found to be mutagenic.

  DOI：

  10.1021/jm00378a018

文献信息

• HARTMAN, G. D.;HARTMAN, R. D.;SCHWERING, J. E.;SAARI, W. S.;ENGELHARDT, E+, J. MED. CHEM., 1984, 27, N 12, 1634-1639
  作者：HARTMAN, G. D.、HARTMAN, R. D.、SCHWERING, J. E.、SAARI, W. S.、ENGELHARDT, E+

  DOI：——

  日期：——
• US4414215A
  申请人：——

  公开号：US4414215A

  公开（公告）日：1983-11-08
• Synthesis and activity of novel nitropyrazines for use as hypoxic cell radiosensitizers
  作者：George D. Hartman、Richard D. Hartman、John E. Schwering、Nigel R. Jones、Peter Wardman、Margaret E. Watts、Michael Woodcock

  DOI：10.1021/jm00378a018

  日期：1984.12

  A series of eight novel nitropyrazines has been prepared by oxidation of sulfoximine intermediates. The partition coefficient, one-electron reduction potential, sensitizer enhancement ratio, and chronic and acute aerobic cytotoxicity have been measured for each. Two representatives of this series were tested in the Ames test and were not found to be mutagenic.