3-((5-(2-(cyclopropylamino)pyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-1-yl)methyl)benzonitrile | 1052220-78-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-((5-(2-(cyclopropylamino)pyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-1-yl)methyl)benzonitrile
• 英文别名: 3-[[5-[2-(cyclopropylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)imidazol-1-yl]methyl]benzonitrile
• CAS: 1052220-78-6
• 化学式: C₂₄H₁₉FN₆
• 分子量: 410.453
• InChiKey: OAJVYQPMDRZRHE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  31
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  79.4
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  3-((5-(2-(cyclopropylamino)pyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-1-yl)methyl)benzonitrile 在 sodium hydroxide 、 水 、 双氧水 作用下， 反应 1.0h， 生成 3-((5-(2-(cyclopropylamino)pyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-1-yl)methyl)benzamide
  参考文献：
  名称：

  Synthesis and biological evaluation of trisubstituted imidazole derivatives as inhibitors of p38α mitogen-activated protein kinase

  摘要：

  A series of trisubstituted imidazole derivatives containing a 4-fluorophenyl group, a pyrimidine ring, and a CN- or CONH(2)-substituted benzyl moiety have been synthesized and evaluated for p38 alpha MAP kinase inhibitory activity. Among them, compounds 22c, 27b, and 28b inhibited p38 alpha MAP kinase with IC(50) values 27.6, 28, and 31 nM, respectively. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.06.007
• 作为产物：
  描述：

  3-((4-(4-fluorophenyl)-5-(2-(methylsulfonyl)pyrimidin-4-yl)-1H-imidazol-1-yl)methyl)benzonitrile 、 环丙胺 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 3-((5-(2-(cyclopropylamino)pyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-1-yl)methyl)benzonitrile
  参考文献：
  名称：

  Synthesis and biological evaluation of trisubstituted imidazole derivatives as inhibitors of p38α mitogen-activated protein kinase

  摘要：

  A series of trisubstituted imidazole derivatives containing a 4-fluorophenyl group, a pyrimidine ring, and a CN- or CONH(2)-substituted benzyl moiety have been synthesized and evaluated for p38 alpha MAP kinase inhibitory activity. Among them, compounds 22c, 27b, and 28b inhibited p38 alpha MAP kinase with IC(50) values 27.6, 28, and 31 nM, respectively. (c) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2008.06.007

文献信息

• NOVEL COMPOUNDS FOR THE TREATMENT OF RESPIRATORY DISEASES
  申请人：THE UNIVERSITY OF MELBOURNE

  公开号：US20220002269A1

  公开（公告）日：2022-01-06

  The present invention relates to new compounds that are useful in the prevention or treatment of respiratory diseases, such as asthma, acute and chronic inflammatory conditions, and fibrotic diseases or conditions in which fibrosis contributes to the pathology of the condition. The invention also relates to the preparation of the compounds, and to compositions including the compounds. The present invention also relates to the use of the compounds, as well as compositions including the compounds, in treating or preventing respiratory diseases, acute and chronic inflammatory conditions, and fibrotic diseases or conditions in which fibrosis contributes to the pathology of the condition.