4-[5-(4-Fluoro-phenyl)-2-(4-methylsulfanyl-phenyl)-3H-imidazol-4-yl]-2-methyl-pyridine | 152121-89-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-[5-(4-Fluoro-phenyl)-2-(4-methylsulfanyl-phenyl)-3H-imidazol-4-yl]-2-methyl-pyridine
• CAS: 152121-89-6
• 化学式: C₂₂H₁₈FN₃S
• 分子量: 375.469
• InChiKey: OHMQUHBLBHTNQU-UHFFFAOYSA-N

物化性质

• 沸点：
  554.6±50.0 °C(Predicted)
• 密度：
  1.32±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.98
• 重原子数：
  27.0
• 可旋转键数：
  4.0
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  41.57
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  4-[5-(4-Fluoro-phenyl)-2-(4-methylsulfanyl-phenyl)-3H-imidazol-4-yl]-2-methyl-pyridine 在 dipotassium peroxodisulfate 作用下， 以 溶剂黄146 为溶剂， 反应 18.0h， 生成 4-[5-(4-Fluoro-phenyl)-2-(4-methanesulfinyl-phenyl)-3H-imidazol-4-yl]-2-methyl-pyridine
  参考文献：
  名称：

  Regulation of stress-induced cytokine production by pyridinylimidazoles; inhibition of CSBP kinase

  摘要：

  Members of three classes of pyridinylimidazoles bind with varying affinities to CSBP (p38) kinase which is a member of a stress-induced signal transduction pathway. Based upon SAR and protein homology modeling, the pharmacophore and three potential modes of binding to the enzyme are presented. For a subset of pyridinylimidazoles, binding is shown to correlate with inhibition of CSBP kinase activity, whereas no significant inhibition of PKA, PKC alpha and ERK kinase activity is observed. Copyright (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0968-0896(96)00212-x
• 作为产物：
  描述：

  4-氟-n-甲氧基-n-甲基苯甲酰胺 在 copper diacetate 、 ammonium acetate 、 lithium diisopropyl amide 作用下， 反应 5.92h， 生成 4-[5-(4-Fluoro-phenyl)-2-(4-methylsulfanyl-phenyl)-3H-imidazol-4-yl]-2-methyl-pyridine
  参考文献：
  名称：

  Regulation of stress-induced cytokine production by pyridinylimidazoles; inhibition of CSBP kinase

  摘要：

  Members of three classes of pyridinylimidazoles bind with varying affinities to CSBP (p38) kinase which is a member of a stress-induced signal transduction pathway. Based upon SAR and protein homology modeling, the pharmacophore and three potential modes of binding to the enzyme are presented. For a subset of pyridinylimidazoles, binding is shown to correlate with inhibition of CSBP kinase activity, whereas no significant inhibition of PKA, PKC alpha and ERK kinase activity is observed. Copyright (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0968-0896(96)00212-x