| 1258077-85-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• CAS: 1258077-85-8
• 化学式: C₂₁H₂₃FN₄OS
• 分子量: 398.504
• InChiKey: WBYZEPKIBKJTKC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.73
• 重原子数：
  28.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.29
• 拓扑面积：
  62.71
• 氢给体数：
  2.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  、 碘甲烷 在 sodium carbonate 作用下， 以 乙醇 为溶剂， 生成 N-(4-(4-(4-fluorophenyl)-2-(methylthio)-1-(pentan-3-yl)-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
• 作为产物：
  描述：

  在 2,2,4,4-四甲基-1,3-环丁烷二硫酮 作用下， 以 二氯甲烷 为溶剂， 生成
  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