2-[4-[2-(4-chlorophenoxy)-2-methylpropanoyl]-1-piperazinomethyl]-3,5,6-trimethylpyrazine | 892495-08-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: 2-[4-[2-(4-chlorophenoxy)-2-methylpropanoyl]-1-piperazinomethyl]-3,5,6-trimethylpyrazine
• 英文别名: 2-(4-Chlorophenoxy)-2-methyl-1-[4-[(3,5,6-trimethylpyrazin-2-yl)methyl]piperazin-1-yl]propan-1-one
• CAS: 892495-08-8
• 化学式: C₂₂H₂₉ClN₄O₂
• 分子量: 416.951
• InChiKey: QBSDCAQEJRKOIN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.5
• 拓扑面积：
  58.6
• 氢给体数：
  0
• 氢受体数：
  5

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 、 2-(4-氯丙氧基)-2-甲基丙酰氯 在 sodium carbonate 作用下， 以 二氯甲烷 为溶剂， 反应 10.0h， 以49%的产率得到2-[4-[2-(4-chlorophenoxy)-2-methylpropanoyl]-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

文献信息

• Ligustrazine derivatives. Part 3: Design, synthesis and evaluation of novel acylpiperazinyl derivatives as potential cerebrocardiac vascular agents
  作者：Xian-Chao Cheng、Xin-Yong Liu、Wen-Fang Xu、Xiu-Li Guo、Ning Zhang、Yu-Ning Song

  DOI：10.1016/j.bmc.2009.03.012

  日期：2009.4

  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.