ethyl 5-chloro-6-(4-(methyl(phenyl)carbamoyl)piperazin-1-yl)nicotinate | 1310537-01-9

• 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: ethyl 5-chloro-6-(4-(methyl(phenyl)carbamoyl)piperazin-1-yl)nicotinate
• 英文别名: ethyl 5-chloro-6-[4-[methyl(phenyl)carbamoyl]piperazin-1-yl]pyridine-3-carboxylate
• CAS: 1310537-01-9
• 化学式: C₂₀H₂₃ClN₄O₃
• 分子量: 402.881
• InChiKey: FRBSOHBKGYVKPB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  28
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  66
• 氢给体数：
  0
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  5-氯-6-(哌嗪-1-基)烟酸乙酯 在 sodium hydride 作用下， 以 N,N-二甲基甲酰胺 、 乙腈 为溶剂， 反应 22.58h， 生成 ethyl 5-chloro-6-(4-(methyl(phenyl)carbamoyl)piperazin-1-yl)nicotinate
  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.