2-氟-4-[2-甲基-8-[[[3-(甲基磺酰基)苯基]甲基]氨基]咪唑并[1,2-a]吡嗪-3-基]苯酚 | 1436383-95-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 中文名称: 2-氟-4-[2-甲基-8-[[[3-(甲基磺酰基)苯基]甲基]氨基]咪唑并[1,2-a]吡嗪-3-基]苯酚
• 中文别名: 2-氟-4-(2-甲基-8-((3-(甲基磺酰基)苄基)氨基)咪唑并[1,2-A]吡嗪-3-基)苯酚
• 英文名称: BF738735
• 英文别名: 2-Fluoro-4-(2-methyl-8-((3-(methylsulfonyl)benzyl)amino)imidazo[1,2-a]pyrazin-3-yl)phenol；2-fluoro-4-[2-methyl-8-[(3-methylsulfonylphenyl)methylamino]imidazo[1,2-a]pyrazin-3-yl]phenol
• CAS: 1436383-95-7
• 化学式: C₂₁H₁₉FN₄O₃S
• 分子量: 426.471
• InChiKey: IMHZCCZYPHJVMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  105
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3-溴-8-氯-2-甲基咪唑并[1,2-a]吡嗪 在 (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride 、 caesium carbonate 、 N,N-二异丙基乙胺 作用下， 以 异丁醇 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 32.0h， 生成 2-氟-4-[2-甲基-8-[[[3-(甲基磺酰基)苯基]甲基]氨基]咪唑并[1,2-a]吡嗪-3-基]苯酚
  参考文献：
  名称：

  Identification of a Series of Compounds with Potent Antiviral Activity for the Treatment of Enterovirus Infections

  摘要：

  Rhinovirus (genus enterovirus) infections are responsible for many of the severe exacerbations of asthma and chronic obstructive pulmonary disease. Other members of the genus can cause life-threatening acute neurological infections. There is currently no antiviral drug approved for the treatment of such infections. We have identified a series of potent, broad-spectrum antiviral compounds that inhibit the replication of the human rhinovirus, Coxsackie virus, poliovirus, and enterovirus-71. The mechanism of action of the compounds has been established as inhibition of a lipid kinase, PI4KIII beta. Inhibition of hepatitis C replication in a replicon assay correlated with enterovirus inhibition.

  DOI：

  10.1021/ml400095m

文献信息

• Identification of a Series of Compounds with Potent Antiviral Activity for the Treatment of Enterovirus Infections
  作者：Angus M. MacLeod、Dale R. Mitchell、Nicholas J. Palmer、Hervé Van de Poël、Katja Conrath、Martin Andrews、Pieter Leyssen、Johan Neyts

  DOI：10.1021/ml400095m

  日期：2013.7.11

  Rhinovirus (genus enterovirus) infections are responsible for many of the severe exacerbations of asthma and chronic obstructive pulmonary disease. Other members of the genus can cause life-threatening acute neurological infections. There is currently no antiviral drug approved for the treatment of such infections. We have identified a series of potent, broad-spectrum antiviral compounds that inhibit the replication of the human rhinovirus, Coxsackie virus, poliovirus, and enterovirus-71. The mechanism of action of the compounds has been established as inhibition of a lipid kinase, PI4KIII beta. Inhibition of hepatitis C replication in a replicon assay correlated with enterovirus inhibition.