(1-(pyridin-4-yl)-1H-1,2,3-triazol-4-yl)methanamine | 933692-40-1

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: (1-(pyridin-4-yl)-1H-1,2,3-triazol-4-yl)methanamine
• 英文别名: (1-pyridin-4-yltriazol-4-yl)methanamine
• CAS: 933692-40-1
• 化学式: C₈H₉N₅
• 分子量: 175.193
• InChiKey: WOLBYFCROKOTCH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.8
• 重原子数：
  13
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  69.6
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  4-azidopyridine 、 炔丙胺 在 copper(II) sulfate 、 sodium ascorbate 作用下， 以 水 、 叔丁醇 为溶剂， 反应 24.0h， 以91%的产率得到(1-(pyridin-4-yl)-1H-1,2,3-triazol-4-yl)methanamine
  参考文献：
  名称：

  ‘Click’ assembly of selective inhibitors for MAO-A

  摘要：

  In this Letter, an efficient strategy for the fast construction of 108 compounds library was developed using click chemistry. The fingerprint of inhibitory activity toward MAO-A/B against this library was obtained, and four hit compounds were identified as selective inhibitors toward MAO-A. Docking study was carried out to demonstrate the binding mode between a9 and MAO-A/B, and the result reveals that a9 localized in the 'aromatic cage' and oriented to establish pi-pi stacking interactions with Tyr407, Tyr444 and FAD in MAO-A rather than in MAO-B. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.08.104

文献信息

• ‘Click’ assembly of selective inhibitors for MAO-A
  作者：Zhao Jia、Qing Zhu

  DOI：10.1016/j.bmcl.2010.08.104

  日期：2010.11

  In this Letter, an efficient strategy for the fast construction of 108 compounds library was developed using click chemistry. The fingerprint of inhibitory activity toward MAO-A/B against this library was obtained, and four hit compounds were identified as selective inhibitors toward MAO-A. Docking study was carried out to demonstrate the binding mode between a9 and MAO-A/B, and the result reveals that a9 localized in the 'aromatic cage' and oriented to establish pi-pi stacking interactions with Tyr407, Tyr444 and FAD in MAO-A rather than in MAO-B. (C) 2010 Elsevier Ltd. All rights reserved.