4-(8-pyridin-3-yl-7H-purin-6-yl)morpholine | 1170069-49-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 咪唑并嘧啶类
• 英文名称: 4-(8-pyridin-3-yl-7H-purin-6-yl)morpholine
• CAS: 1170069-49-4
• 化学式: C₁₄H₁₄N₆O
• 分子量: 282.305
• InChiKey: FOVFMBOXPLTIHT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  21
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  79.8
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  吗啉 、 6-chloro-8-pyridin-3-yl-7H-purine 在 三乙胺 作用下， 以 乙醇 为溶剂， 反应 2.0h， 生成 4-(8-pyridin-3-yl-7H-purin-6-yl)morpholine
  参考文献：
  名称：

  Novel 8-arylated purines as inhibitors of glycogen synthase kinase

  摘要：

  A series of 8-arylated purine derivatives bearing either an aniline or an alkyl amide at position 6 were found to inhibit glycogen synthase kinase-3, with good selectivity over ten kinases. Molecular modeling studies indicated that the most active compounds (8a and 8e), adopt a planar conformation, close to the shape of AMPPNP in the crystal structure of GSK-3. These compounds are stabilized by hydrophobic contacts between the 8-aromatic group and the protein adenine pocket and by electrostatic contacts. (C) 2010 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2010.04.026

文献信息

• Novel 8-arylated purines as inhibitors of glycogen synthase kinase
  作者：Nada Ibrahim、Liliane Mouawad、Michel Legraverend

  DOI：10.1016/j.ejmech.2010.04.026

  日期：2010.8

  A series of 8-arylated purine derivatives bearing either an aniline or an alkyl amide at position 6 were found to inhibit glycogen synthase kinase-3, with good selectivity over ten kinases. Molecular modeling studies indicated that the most active compounds (8a and 8e), adopt a planar conformation, close to the shape of AMPPNP in the crystal structure of GSK-3. These compounds are stabilized by hydrophobic contacts between the 8-aromatic group and the protein adenine pocket and by electrostatic contacts. (C) 2010 Elsevier Masson SAS. All rights reserved.