4-(3-chloro-5-(ethylcarbamoyl)pyridin-2-yl)-N-phenylpiperazine-1-carboxamide | 1310536-97-0

• 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: 4-(3-chloro-5-(ethylcarbamoyl)pyridin-2-yl)-N-phenylpiperazine-1-carboxamide
• 英文别名: 4-[3-chloro-5-(ethylcarbamoyl)pyridin-2-yl]-N-phenylpiperazine-1-carboxamide
• CAS: 1310536-97-0
• 化学式: C₁₉H₂₂ClN₅O₂
• 分子量: 387.869
• InChiKey: XSWCHCOKGJWNLM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  77.6
• 氢给体数：
  2
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  5-氯-6-(哌嗪-1-基)烟酸乙酯 在 4-二甲氨基吡啶 、 N,N'-二环己基碳二亚胺 、 lithium hydroxide 作用下， 以 四氢呋喃 、 二氯甲烷 、 水 、 乙腈 为溶剂， 反应 45.0h， 生成 4-(3-chloro-5-(ethylcarbamoyl)pyridin-2-yl)-N-phenylpiperazine-1-carboxamide
  参考文献：
  名称：

  A novel series of piperazinyl-pyridine ureas as antagonists of the purinergic P2Y12 receptor

  摘要：

  A novel series of P2Y(12) antagonists for development of drugs within the antiplatelet area is presented. The synthesis of the piperazinyl-pyridine urea derivatives and their structure-activity relationships (SAR) are described. Several compounds showed P2Y(12) antagonistic activities in the sub-micromolar range. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.03.088

文献信息

• A novel series of piperazinyl-pyridine ureas as antagonists of the purinergic P2Y12 receptor
  作者：Peter Bach、Jonas Boström、Kay Brickmann、J.J.J. van Giezen、Ragnar Hovland、Annika U. Petersson、Asim Ray、Fredrik Zetterberg

  DOI：10.1016/j.bmcl.2011.03.088

  日期：2011.5

  A novel series of P2Y(12) antagonists for development of drugs within the antiplatelet area is presented. The synthesis of the piperazinyl-pyridine urea derivatives and their structure-activity relationships (SAR) are described. Several compounds showed P2Y(12) antagonistic activities in the sub-micromolar range. (C) 2011 Elsevier Ltd. All rights reserved.