2-[4-[(E)-3-nitrocinnamoyl]-1-piperazinomethyl]-3,5,6-trimethylpyrazine | 1160173-58-9

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 2-[4-[(E)-3-nitrocinnamoyl]-1-piperazinomethyl]-3,5,6-trimethylpyrazine
• 英文别名: (E)-3-(3-nitrophenyl)-1-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]prop-2-en-1-one
• CAS: 1160173-58-9
• 化学式: C₂₁H₂₅N₅O₃
• 分子量: 395.461
• InChiKey: YDWOUGNKANMJKM-BQYQJAHWSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  29
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  95.2
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2,3,5-三甲基-6-(哌嗪-1-基甲基)吡嗪 、 (E)-3-(3-硝基苯基)-2-丙烯酰氯 在 sodium carbonate 作用下， 以 二氯甲烷 为溶剂， 反应 10.0h， 以62%的产率得到2-[4-[(E)-3-nitrocinnamoyl]-1-piperazinomethyl]-3,5,6-trimethylpyrazine
  参考文献：
  名称：

  Ligustrazine derivatives. Part 3: Design, synthesis and evaluation of novel acylpiperazinyl derivatives as potential cerebrocardiac vascular agents

  摘要：

  A series of novel acylpiperazinyl Ligustrazine derivatives was designed, synthesized, and their protective effects on damaged ECV-304 cells and antiplatelet aggregation activities were evaluated. The results showed that compound E33 displayed most potential protective effects on the ECV-304 cells damaged by hydrogen peroxide, and compound E1 was found to be the most active antiplatelet aggregation agent. Structure-activity relationships were briefly discussed. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2009.03.012