CXC195

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: CXC195
• 英文别名: 2-[[4-[Bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]-3,5,6-trimethylpyrazine
• 化学式: C₂₅H₂₈F₂N₄
• 分子量: 422.521
• InChiKey: XFLLEJASKDGDFN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.1
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  32.3
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  川芎嗪 在 sodium hydroxide 、 氯化亚砜 、 双氧水 、 溶剂黄146 、 三乙胺 、 sodium iodide 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 14.5h， 生成 CXC195
  参考文献：
  名称：

  Design, synthesis, and biological activities of novel Ligustrazine derivatives

  摘要：

  A series of novel Ligustrazine derivatives was designed, synthesized, and assayed for their protective effects on damaged ECV-304 cells and antiplatelet aggregation activities. The results showed that most Ligustrazine derivatives exhibited lower EC50 values for protective effects on the ECV-304 cells damaged by hydrogen peroxide in comparison with Ligustrazine. And some Ligustrazine derivatives presented better antiplatelet aggregation activities than Ligustrazine. The derivatives containing the bisphenylmethyl pharmacophore (7a-c) exhibited highest potency. Compound 7a displayed most potential protective effects on the ECV-304 cells damaged by hydrogen peroxide, and compound 7c was found to be the most active antiplatelet aggregation agent. Structure-activity relationships were briefly discussed. (c) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmc.2007.03.033

文献信息

• Design, synthesis, and biological activities of novel Ligustrazine derivatives
  作者：Xian-Chao Cheng、Xin-Yong Liu、Wen-Fang Xu、Xiu-Li Guo、Yang Ou

  DOI：10.1016/j.bmc.2007.03.033

  日期：2007.5

  A series of novel Ligustrazine derivatives was designed, synthesized, and assayed for their protective effects on damaged ECV-304 cells and antiplatelet aggregation activities. The results showed that most Ligustrazine derivatives exhibited lower EC50 values for protective effects on the ECV-304 cells damaged by hydrogen peroxide in comparison with Ligustrazine. And some Ligustrazine derivatives presented better antiplatelet aggregation activities than Ligustrazine. The derivatives containing the bisphenylmethyl pharmacophore (7a-c) exhibited highest potency. Compound 7a displayed most potential protective effects on the ECV-304 cells damaged by hydrogen peroxide, and compound 7c was found to be the most active antiplatelet aggregation agent. Structure-activity relationships were briefly discussed. (c) 2007 Elsevier Ltd. All rights reserved.