4-[4,5-Dibromo-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazol-2-yl]-2,3,5,6-tetrafluoro-pyridine | 497165-57-8

• 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-[4,5-Dibromo-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazol-2-yl]-2,3,5,6-tetrafluoro-pyridine
• CAS: 497165-57-8
• 化学式: C₁₄H₁₅Br₂F₄N₃OSi
• 分子量: 505.18
• InChiKey: FJGYYNWZADNNAN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.34
• 重原子数：
  25.0
• 可旋转键数：
  6.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  39.94
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  4-[4,5-Dibromo-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazol-2-yl]-2,3,5,6-tetrafluoro-pyridine 在 盐酸 、 bis-triphenylphosphine-palladium(II) chloride 作用下， 以 乙醇 、 甲苯 、 xylene 为溶剂， 反应 16.0h， 生成 2,3,5,6-Tetrafluoro-4-(4-furan-2-yl-5-pyridin-4-yl-1H-imidazol-2-yl)-pyridine
  参考文献：
  名称：

  SAR of 2,6-diamino-3,5-difluoropyridinyl substituted heterocycles as novel p38MAP kinase inhibitors

  摘要：

  2,6-Diamino-3,5-difluoropyridinyl substituted pyridinylimidazoles, -pyrroles, -oxazoles, -thiazoles and -triazoles have been identified as novel p38alpha inhibitors. Pyridinylimidazole 11 potently inhibited LPS-induced TNFalpha in mice, showed good efficacy in the established rat adjuvant (ED50: 10mg/kg po b.i.d.) and collagen induced arthritis (ED50: 5mg/kg po b.i.d.) with disease modifying properties based on histological analysis of the joints. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(02)00336-0
• 作为产物：
  描述：

  1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazole 在 正丁基锂 、 溴 、 sodium acetate 、 溶剂黄146 作用下， 以 四氢呋喃 为溶剂， 反应 0.25h， 生成 4-[4,5-Dibromo-1-(2-trimethylsilanyl-ethoxymethyl)-1H-imidazol-2-yl]-2,3,5,6-tetrafluoro-pyridine
  参考文献：
  名称：

  SAR of 2,6-diamino-3,5-difluoropyridinyl substituted heterocycles as novel p38MAP kinase inhibitors

  摘要：

  2,6-Diamino-3,5-difluoropyridinyl substituted pyridinylimidazoles, -pyrroles, -oxazoles, -thiazoles and -triazoles have been identified as novel p38alpha inhibitors. Pyridinylimidazole 11 potently inhibited LPS-induced TNFalpha in mice, showed good efficacy in the established rat adjuvant (ED50: 10mg/kg po b.i.d.) and collagen induced arthritis (ED50: 5mg/kg po b.i.d.) with disease modifying properties based on histological analysis of the joints. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(02)00336-0