3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(3-morpholinopropyl)pyrazolo[1,5-a]pyrimidin-7-amine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(3-morpholinopropyl)pyrazolo[1,5-a]pyrimidin-7-amine
• 英文别名: 3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(3-morpholin-4-ylpropyl)pyrazolo[1,5-a]pyrimidin-7-amine
• 化学式: C₂₃H₃₁N₅O₃
• 分子量: 425.531
• InChiKey: HYSFVSJKILJPMC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.48
• 拓扑面积：
  73.2
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  N-(3-氨丙基)吗啉 、 7-chloro-3-(3,4-dimethoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidine 在 N,N-二异丙基乙胺 作用下， 以 乙醇 为溶剂， 反应 12.0h， 以80%的产率得到3-(3,4-dimethoxyphenyl)-2,5-dimethyl-N-(3-morpholinopropyl)pyrazolo[1,5-a]pyrimidin-7-amine
  参考文献：
  名称：

  Highly Selective Phosphatidylinositol 4-Kinase IIIβ Inhibitors and Structural Insight into Their Mode of Action

  摘要：

  Phosphatidylinositol 4-kinase III beta is a cellular lipid kinase pivotal to pathogenesis of various RNA viruses. These viruses hijack the enzyme in order to modify the structure of intracellular membranes and use them for the construction of functional replication machinery. Selective inhibitors of this enzyme are potential broad-spectrum antiviral agents, as inhibition of this enzyme results in the arrest of replication of PI4K III beta-dependent viruses. Herein, we report a detailed study of novel selective inhibitors of PI4K III beta, which exert antiviral activity against a panel of single-stranded positive-sense RNA viruses. Our crystallographic data show that the inhibitors occupy the binding site for the adenine ring of the ATP molecule and therefore prevent the phosphorylation reaction.

  DOI：

  10.1021/acs.jmedchem.5b00499