5-bromo-N,N-diethyl-6-(piperazin-1-yl)pyridine-3-sulfonamide | 1310537-24-6

• 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: 5-bromo-N,N-diethyl-6-(piperazin-1-yl)pyridine-3-sulfonamide
• CAS: 1310537-24-6
• 化学式: C₁₃H₂₁BrN₄O₂S
• 分子量: 377.305
• InChiKey: UDBLRDWBWZCYTD-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.28
• 重原子数：
  21.0
• 可旋转键数：
  5.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.62
• 拓扑面积：
  65.54
• 氢给体数：
  1.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  5-bromo-N,N-diethyl-6-(piperazin-1-yl)pyridine-3-sulfonamide 、 异氰酸苯酯 以 二氯甲烷 为溶剂， 以13 mg的产率得到4-(3-bromo-5-(N,N-diethylsulfamoyl)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
• 作为产物：
  描述：

  3-溴-2-氯吡啶-5-磺酰氯 在 三乙胺 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 2.67h， 生成 5-bromo-N,N-diethyl-6-(piperazin-1-yl)pyridine-3-sulfonamide
  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