N-(4-(1-(2,3-dihydroxypropyl)-4-(4-fluorophenyl)-2-(methylthio)-1H-imidazol-5-yl)pyridin-2-yl)acetamide | 1258077-16-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N-(4-(1-(2,3-dihydroxypropyl)-4-(4-fluorophenyl)-2-(methylthio)-1H-imidazol-5-yl)pyridin-2-yl)acetamide
• 英文别名: N-[4-[3-(2,3-dihydroxypropyl)-5-(4-fluorophenyl)-2-methylsulfanylimidazol-4-yl]pyridin-2-yl]acetamide
• CAS: 1258077-16-5
• 化学式: C₂₀H₂₁FN₄O₃S
• 分子量: 416.476
• InChiKey: FVZYMTVLNBTFBC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.4
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  126
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  N-(4-(3-(2,3-dihydroxypropyl)-5-(4-fluorophenyl)-2-thioxo-2,3-dihydro-1H-imidazol-4-yl)pyridin-2-yl)acetamide 、 碘甲烷 在 sodium carbonate 作用下， 以 乙醇 为溶剂， 生成 N-(4-(1-(2,3-dihydroxypropyl)-4-(4-fluorophenyl)-2-(methylthio)-1H-imidazol-5-yl)pyridin-2-yl)acetamide
  参考文献：
  名称：

  Tri- and tetrasubstituted imidazoles as p38α mitogen-activated protein kinase inhibitors

  摘要：

  The synthesis of 2,4,5-trisubstituted and 1,2,4,5-tetrasubstituted imidazoles as potent p38 alpha mitogen-activated protein kinase inhibitors is described. The trisubstituted imidazole series was found to be more potent than the tetrasubstituted imidazole series. Many of these compounds show low-nanomolar activities in the isolated p38 alpha MAP kinase inhibition assay. The structure-activity relationships between these two series are different and not comparable. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.09.012