6-[5-(4-Fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]-2-methylsulfanylpyrimidin-4-amine | 220654-13-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 6-[5-(4-Fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]-2-methylsulfanylpyrimidin-4-amine
• CAS: 220654-13-7
• 化学式: C₂₁H₂₅FN₆OS
• 分子量: 428.534
• InChiKey: LULSKQMAZNSTDS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.2
• 重原子数：
  30
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  107
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  6-[5-(4-Fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]-2-methylsulfanylpyrimidin-4-amine 在 镍 作用下， 以 乙醇 为溶剂， 反应 48.0h， 生成 N-[6-[5-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]pyrimidin-4-yl]acetamide
  参考文献：
  名称：

  Pyrimidinylimidazole inhibitors of CSBP/P38 kinase demonstrating decreased inhibition of hepatic cytochrome P450 enzymes

  摘要：

  Pyrimidine analogs of the pyridinylimidazole class of CSBP/p38 kinase inhibitors were prepared in an effort to reduce the potent inhibition of hepatic cytochrome P450 observed for the pyridinyl compounds. The substitution of pyrimidin-4-yl, 2-methoxypyrimidin-4-yl, or 2-methylaminopyrimidin-4-yl for pyridin-4-yl effectively dissociates CSBP/p38 kinctse from P450 inhibition for this series and furthermore achieves an increase in oral activity. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00549-6
• 作为产物：
  描述：

  6-Chloro-2-(methylthio)pyrimidine-4-carbaldehyde 在 ammonium hydroxide 、 1,5,7-三氮杂双环[4.4.0]癸-5-烯 作用下， 以 二氯甲烷 为溶剂， 生成 6-[5-(4-Fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]-2-methylsulfanylpyrimidin-4-amine
  参考文献：
  名称：

  Pyrimidinylimidazole inhibitors of CSBP/P38 kinase demonstrating decreased inhibition of hepatic cytochrome P450 enzymes

  摘要：

  Pyrimidine analogs of the pyridinylimidazole class of CSBP/p38 kinase inhibitors were prepared in an effort to reduce the potent inhibition of hepatic cytochrome P450 observed for the pyridinyl compounds. The substitution of pyrimidin-4-yl, 2-methoxypyrimidin-4-yl, or 2-methylaminopyrimidin-4-yl for pyridin-4-yl effectively dissociates CSBP/p38 kinctse from P450 inhibition for this series and furthermore achieves an increase in oral activity. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00549-6