2-(3-(Piperidin-1-yl)propylthio)-5-(pyridin-4-yl)-1,3,4-oxadiazole | 1254304-65-8

• 分子结构分类: 有机化合物 - 有机硫化合物 - 硫醚类
• 英文名称: 2-(3-(Piperidin-1-yl)propylthio)-5-(pyridin-4-yl)-1,3,4-oxadiazole
• 英文别名: 2-(3-piperidin-1-ylpropylsulfanyl)-5-pyridin-4-yl-1,3,4-oxadiazole
• CAS: 1254304-65-8
• 化学式: C₁₅H₂₀N₄OS
• 分子量: 304.416
• InChiKey: GYEWMVDUFBIODR-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  21
• 可旋转键数：
  6
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.53
• 拓扑面积：
  80.4
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  5-(4-吡啶基)-1,3,4-二唑-2-硫醇 、 1-(3-methylsulfonyloxypropyl)piperidine 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-(3-(Piperidin-1-yl)propylthio)-5-(pyridin-4-yl)-1,3,4-oxadiazole
  参考文献：
  名称：

  Azole derivatives as histamine H3 receptor antagonists, Part 2: C–C and C–S coupled heterocycles

  摘要：

  With a small series of compounds we demonstrated the variability in the core region of the human histamine H-3 receptor (hH(3)R) antagonist structural blueprint by introducing polar azole groups (oxazole, oxadiazole, thiazole and triazole). Additional variations achieved by coupling different residues to the heterocyclic core structure led to further optimisation of in vitro receptor binding of the novel azole derivatives. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.07.109

文献信息

• Azole derivatives as histamine H3 receptor antagonists, Part 2: C–C and C–S coupled heterocycles
  作者：M. Walter、K. Isensee、T. Kottke、X. Ligneau、J.-C. Camelin、J.-C. Schwartz、H. Stark

  DOI：10.1016/j.bmcl.2010.07.109

  日期：2010.10

  With a small series of compounds we demonstrated the variability in the core region of the human histamine H-3 receptor (hH(3)R) antagonist structural blueprint by introducing polar azole groups (oxazole, oxadiazole, thiazole and triazole). Additional variations achieved by coupling different residues to the heterocyclic core structure led to further optimisation of in vitro receptor binding of the novel azole derivatives. (C) 2010 Elsevier Ltd. All rights reserved.