5-(2-acetamidopyridin-4-yl)-4-(4-fluorophenyl)-1-(3-methoxy-3-oxopropyl)-1H-imidazole 3-oxide | 1258077-68-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 5-(2-acetamidopyridin-4-yl)-4-(4-fluorophenyl)-1-(3-methoxy-3-oxopropyl)-1H-imidazole 3-oxide
• CAS: 1258077-68-7
• 化学式: C₂₁H₂₁FN₄O₄
• 分子量: 412.421
• InChiKey: DZCCIULUVFWJCU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.9
• 重原子数：
  30.0
• 可旋转键数：
  7.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  100.16
• 氢给体数：
  1.0
• 氢受体数：
  6.0

反应信息

• 作为反应物：
  描述：

  5-(2-acetamidopyridin-4-yl)-4-(4-fluorophenyl)-1-(3-methoxy-3-oxopropyl)-1H-imidazole 3-oxide 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
• 作为产物：
  描述：

  1,2,3-tri(2-carboethoxyethyl)-hexahydro-1,3,5-triazine 、 N-{4-[2-(4-fluorophenyl)-2-hydroxyliminoacetyl]pyridin-2-yl}acetamide 以 乙醇 为溶剂， 生成 5-(2-acetamidopyridin-4-yl)-4-(4-fluorophenyl)-1-(3-methoxy-3-oxopropyl)-1H-imidazole 3-oxide
  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