1-(5-(4-phenyl-1H-1,2,3-triazol-1-yl)pentyl)piperidine | 1228306-32-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-(5-(4-phenyl-1H-1,2,3-triazol-1-yl)pentyl)piperidine
• 英文别名: 1-[5-(4-Phenyltriazol-1-yl)pentyl]piperidine
• CAS: 1228306-32-8
• 化学式: C₁₈H₂₆N₄
• 分子量: 298.431
• InChiKey: KBWCWHMEXIFZHO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  22
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.56
• 拓扑面积：
  34
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  1-(5-(4-phenyl-1H-1,2,3-triazol-1-yl)pentyl)piperidine 、 草酸 、 alkaline earth salt of/the/ methylsulfuric acid 生成 1-(5-(4-phenyl-1H-1,2,3-triazol-1-yl)pentyl)piperidine hydrogenoxalate
  参考文献：
  名称：

  First Metal-Containing Histamine H₃ Receptor Ligands

  摘要：

  Iron-containing ligands targeting the human histamine H-3 receptor (hH(3)R) were prepared. The compounds contain ferrocene sandwich complexes coupled via different linkers to a basic hH(3)R antagonist/inverse agonist pharmacophore. In a click chemistry approach, a triazole was successfully inserted as a new linking element. Two ferrocenylmethylamines and a ferrocenyltriazole were the most affine hH(3)R ligands within this series, showing receptor binding in the nano- and subnanomolar concentration range.

  DOI：

  10.1021/ol100419y
• 作为产物：
  描述：

  1-(5-azidopentyl)piperidine 、 苯乙炔 在 copper(II) sulfate 、 sodium ascorbate 作用下， 以 水 、 N,N-二甲基甲酰胺 为溶剂， 生成 1-(5-(4-phenyl-1H-1,2,3-triazol-1-yl)pentyl)piperidine
  参考文献：
  名称：

  First Metal-Containing Histamine H₃ Receptor Ligands

  摘要：

  Iron-containing ligands targeting the human histamine H-3 receptor (hH(3)R) were prepared. The compounds contain ferrocene sandwich complexes coupled via different linkers to a basic hH(3)R antagonist/inverse agonist pharmacophore. In a click chemistry approach, a triazole was successfully inserted as a new linking element. Two ferrocenylmethylamines and a ferrocenyltriazole were the most affine hH(3)R ligands within this series, showing receptor binding in the nano- and subnanomolar concentration range.

  DOI：

  10.1021/ol100419y

文献信息

• First Metal-Containing Histamine H₃ Receptor Ligands
  作者：Kerstin Sander、Tim Kottke、Claas Hoffend、Miriam Walter、Lilia Weizel、Jean-Claude Camelin、Xavier Ligneau、Erich H. Schneider、Roland Seifert、Jean-Charles Schwartz、Holger Stark

  DOI：10.1021/ol100419y

  日期：2010.6.4

  Iron-containing ligands targeting the human histamine H-3 receptor (hH(3)R) were prepared. The compounds contain ferrocene sandwich complexes coupled via different linkers to a basic hH(3)R antagonist/inverse agonist pharmacophore. In a click chemistry approach, a triazole was successfully inserted as a new linking element. Two ferrocenylmethylamines and a ferrocenyltriazole were the most affine hH(3)R ligands within this series, showing receptor binding in the nano- and subnanomolar concentration range.