1-[3-(N-Phenylmethyl)aminopropyl]-4-(4-fluorophenyl)-5-(pyridin-4-yl)imidazole

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 1-[3-(N-Phenylmethyl)aminopropyl]-4-(4-fluorophenyl)-5-(pyridin-4-yl)imidazole
• 英文别名: 1-[3-(N-phenylmethyl)aminopropyl]-4-(4-fluorophenyl)-5-(4-pyridyl)imidazole；N-benzyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine
• 化学式: C₂₄H₂₃FN₄
• 分子量: 386.472
• InChiKey: IFJJHTBJGFJLAS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.7
• 重原子数：
  29
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  42.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  3-苄胺基丙胺 在 1,5,7-三氮杂双环[4.4.0]癸-5-烯 、 magnesium sulfate 作用下， 以 二氯甲烷 、 甲苯 为溶剂， 反应 34.0h， 生成 1-[3-(N-Phenylmethyl)aminopropyl]-4-(4-fluorophenyl)-5-(pyridin-4-yl)imidazole
  参考文献：
  名称：

  Regulation of stress-induced cytokine production by pyridinylimidazoles; inhibition of CSBP kinase

  摘要：

  Members of three classes of pyridinylimidazoles bind with varying affinities to CSBP (p38) kinase which is a member of a stress-induced signal transduction pathway. Based upon SAR and protein homology modeling, the pharmacophore and three potential modes of binding to the enzyme are presented. For a subset of pyridinylimidazoles, binding is shown to correlate with inhibition of CSBP kinase activity, whereas no significant inhibition of PKA, PKC alpha and ERK kinase activity is observed. Copyright (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0968-0896(96)00212-x

文献信息

• Formamide intermediates for the preparation of tri-substituted imidazole compounds with multiple therapeutic properties
  申请人：SMITHKLINE BEECHAM CORPORATION

  公开号：EP1227091A3

  公开（公告）日：2002-08-07

  The invention relates to a novel group of formamide compounds and a process for their preparation, useful in the preparation of tri-substituted imadazoles having multiple therapeutic properties.

  这项发明涉及一类新型的甲酰胺化合物及其制备方法，可用于制备具有多种治疗性能的三取代咪唑。
• Imine intermediates for the preparation of trisubstituted imidazole compounds with multiple therapeutic properties
  申请人：SMITHKLINE BEECHAM CORPORATION

  公开号：EP1229035A1

  公开（公告）日：2002-08-07

  The invention relates to a novel group of iminc compounds and a process for their preparation, useful in the preparation of tri-substituted imadazoles having multiple therapeutic properties.

  这项发明涉及一类新型的iminc化合物及其制备方法，可用于制备具有多种治疗性能的三取代咪唑。
• Isonitrile intermediates for the preparation of tri-substituted imidazole compounds with multiple therapeutic properties
  申请人：SmithKline Beecham Corporation

  公开号：EP1227092A3

  公开（公告）日：2002-08-07

  The invention relates to a novel group of isonitrile compounds and a process for their preparation, useful in the preparation of tri-substituted imadazoles having multiple therapeutic properties.

  这项发明涉及一类新型异腈化合物及其制备方法，可用于制备具有多种治疗性能的三取代咪唑。
• Novel compounds
  申请人：SmithKline Beecham Corporation

  公开号：US20020188122A1

  公开（公告）日：2002-12-12

  Novel 1, 4, 5- substituted imidazole compounds and compositions for use in therapy as cytokine inhibitors.

  小说1、4、5-取代咪唑化合物和组合物，用于作为细胞因子抑制剂的治疗。
• Process for the preparation of trisubstituted imidazole compounds with multiple therapeutic properties
  申请人：SMITHKLINE BEECHAM CORPORATION

  公开号：EP1291346A1

  公开（公告）日：2003-03-12

  Novel 1,4,5- substituted imidazole compounds and compositions for use in therapy.

  用于治疗的新型 1,4,5-取代咪唑化合物和组合物。