4-(4-Fluorophenyl)-5-[2-(methylthio)-4-pyrimidinyl]-1-[3-(4-morpholinyl)-propyl]imidazole | 165806-68-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 4-(4-Fluorophenyl)-5-[2-(methylthio)-4-pyrimidinyl]-1-[3-(4-morpholinyl)-propyl]imidazole
• 英文别名: 1-[3-(N-Morpholino)propyl]-4-(4-fluorophenyl)-5-[2-(methylthio)-pyrimidin-4-yl]imidazole；4-(4-fluorophenyl)-5-[2-(methylthio)-4-pyrimidinyl]-1-[3-(4-morpholinyl)propyl]imidazole；1-[3-(N-Morpholino)propyl]-4-(4-fluorophenyl)-5-[2-(methylthio)-pyrimidin4-yl]imidazole；4-[3-[4-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)imidazol-1-yl]propyl]morpholine
• CAS: 165806-68-8
• 化学式: C₂₁H₂₄FN₅OS
• 分子量: 413.519
• InChiKey: VSGGNWLHIXUIFA-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  29
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  81.4
• 氢给体数：
  0
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  4-(4-Fluorophenyl)-5-[2-(methylthio)-4-pyrimidinyl]-1-[3-(4-morpholinyl)-propyl]imidazole 在 dipotassium peroxodisulfate 、 溶剂黄146 作用下， 反应 72.0h， 生成 5-[(2-N,N-Dimethylamino)pyrimidin-4-yl]-4-(4-fluorophenyl)-1-[3-(4-morpholinyl)-propyl]imidazole
  参考文献：
  名称：

  Pyrimidinylimidazole inhibitors of CSBP/P38 kinase demonstrating decreased inhibition of hepatic cytochrome P450 enzymes

  摘要：

  Pyrimidine analogs of the pyridinylimidazole class of CSBP/p38 kinase inhibitors were prepared in an effort to reduce the potent inhibition of hepatic cytochrome P450 observed for the pyridinyl compounds. The substitution of pyrimidin-4-yl, 2-methoxypyrimidin-4-yl, or 2-methylaminopyrimidin-4-yl for pyridin-4-yl effectively dissociates CSBP/p38 kinctse from P450 inhibition for this series and furthermore achieves an increase in oral activity. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00549-6
• 作为产物：
  描述：

  4-(二甲氧甲基)-2-甲硫基嘧啶 在 盐酸 、 1,5,7-三氮杂双环[4.4.0]癸-5-烯 作用下， 以 二氯甲烷 为溶剂， 生成 4-(4-Fluorophenyl)-5-[2-(methylthio)-4-pyrimidinyl]-1-[3-(4-morpholinyl)-propyl]imidazole
  参考文献：
  名称：

  Pyrimidinylimidazole inhibitors of CSBP/P38 kinase demonstrating decreased inhibition of hepatic cytochrome P450 enzymes

  摘要：

  Pyrimidine analogs of the pyridinylimidazole class of CSBP/p38 kinase inhibitors were prepared in an effort to reduce the potent inhibition of hepatic cytochrome P450 observed for the pyridinyl compounds. The substitution of pyrimidin-4-yl, 2-methoxypyrimidin-4-yl, or 2-methylaminopyrimidin-4-yl for pyridin-4-yl effectively dissociates CSBP/p38 kinctse from P450 inhibition for this series and furthermore achieves an increase in oral activity. (C) 1998 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(98)00549-6

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。
• Imidazole compounds, use and process of making
  申请人：——

  公开号：US05593991A1

  公开（公告）日：1997-01-14

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

  小说1,4,5-取代咪唑化合物和用于治疗的组合物，作为细胞因子抑制剂。
• 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。
• [EN] TRI-SUBSTITUTED IMIDAZOLES HAVING MULTIPLE THERAPEUTIC PROPERTIES<br/>[FR] IMIDAZOLES A TRI-SUBSTITUTION ET PROPRIETES THERAPEUTIQUES MULTIPLES
  申请人：SMITHKLINE BEECHAM CORPORATION

  公开号：WO1995002591A1

  公开（公告）日：1995-01-26

  (EN) This invention relates to a novel group of imidazole compounds, processes for the preparation thereof, the use thereof in treating cytokine mediated diseases, and pharmaceutical compositions for use in such therapy.(FR) L'invention concerne un nouveau groupe de composés d'imidazoles, leurs procédés de préparation, leur utilisation dans le traitement de maladies induites par la cytokine ainsi que des compositions pharmaceutiques destinées à être utilisées dans ladite thérapie.

  这项发明涉及一种新型的咪唑化合物群，其制备过程，用于治疗细胞因子介导疾病的用途以及用于此类治疗的药物组合物。