3-(2,6-dichlorophenyl)-N-(4-(4-(4-fluorophenyl)-2-(methylthio)-1H-imidazol-5-yl)pyridin-2-yl)acrylamide | 1258077-51-8

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 肉桂酸及其衍生物
• 英文名称: 3-(2,6-dichlorophenyl)-N-(4-(4-(4-fluorophenyl)-2-(methylthio)-1H-imidazol-5-yl)pyridin-2-yl)acrylamide
• 英文别名: (E)-3-(2,6-dichlorophenyl)-N-[4-[5-(4-fluorophenyl)-2-methylsulfanyl-1H-imidazol-4-yl]pyridin-2-yl]prop-2-enamide
• CAS: 1258077-51-8
• 化学式: C₂₄H₁₇Cl₂FN₄OS
• 分子量: 499.396
• InChiKey: PARMXNOKKGNOJT-MDZDMXLPSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6.1
• 重原子数：
  33
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.04
• 拓扑面积：
  96
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  4-(5-(4-fluorophenyl)-2-(methylthio)-1H-imidazol-4-yl)pyridin-2-amine 、 (2E)-3-(2,6-二氯苯基)丙烯酸 在 N,N'-羰基二咪唑 作用下， 以 N-甲基吡咯烷酮 为溶剂， 生成 3-(2,6-dichlorophenyl)-N-(4-(4-(4-fluorophenyl)-2-(methylthio)-1H-imidazol-5-yl)pyridin-2-yl)acrylamide
  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

文献信息

• Tri- and tetrasubstituted imidazoles as p38α mitogen-activated protein kinase inhibitors
  作者：Stefan Laufer、Dominik Hauser、Thomas Stegmiller、Claudia Bracht、Kathrin Ruff、Verena Schattel、Wolfgang Albrecht、Pierre Koch

  DOI：10.1016/j.bmcl.2010.09.012

  日期：2010.11

  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.