N'-{5-[2-(2,6-difluorophenyl)-5-phenyl-3H-imidazol-4-yl]-3-isobutyl-3H-imidazo[4,5-b]pyridin-2-yl}amine | 862505-50-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: N'-{5-[2-(2,6-difluorophenyl)-5-phenyl-3H-imidazol-4-yl]-3-isobutyl-3H-imidazo[4,5-b]pyridin-2-yl}amine
• 英文别名: 5-[2-(2,6-difluorophenyl)-4-phenyl-1H-imidazol-5-yl]-3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-amine
• CAS: 862505-50-8
• 化学式: C₂₅H₂₂F₂N₆
• 分子量: 444.487
• InChiKey: SYCOWGUWYABYOT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  33
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.16
• 拓扑面积：
  85.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  N'-{5-[2-(2,6-difluorophenyl)-5-phenyl-3H-imidazol-4-yl]-3-isobutyl-3H-imidazo[4,5-b]pyridin-2-yl}amine 、 N,N-二甲基甲酰胺二甲基缩醛 以 甲苯 为溶剂， 反应 2.0h， 生成 N'-{5-[2-(2,6-difluorophenyl)-5-phenyl-3H-imidazol-4-yl]-3-isobutyl-3H-imidazo[4,5-b]pyridin-2-yl}-N,N-dimethylformamidine
  参考文献：
  名称：

  [EN] KINASE INHIBITORS
  [FR] INHIBITEURS DE KINASES

  摘要：

  本发明提供了化合物I的激酶抑制剂。

  公开号：

  WO2005075478A1
• 作为产物：
  描述：

  、 溴化氰 在 lithium methanolate 作用下， 以 1,2-二氯乙烷 为溶剂， 生成 N'-{5-[2-(2,6-difluorophenyl)-5-phenyl-3H-imidazol-4-yl]-3-isobutyl-3H-imidazo[4,5-b]pyridin-2-yl}amine
  参考文献：
  名称：

  Imidazolyl benzimidazoles and imidazo[4,5-b]pyridines as potent p38α MAP kinase inhibitors with excellent in vivo antiinflammatory properties

  摘要：

  Herein we report investigations into the p38 alpha MAP kinase activity of trisubstituted imidazoles that led to the identification of compounds possessing highly potent in vivo activity. The SAR of a novel series of imidazopyridines is demonstrated as well, resulting in compounds possessing cellular potency and enhanced in vivo activity in the rat collagen-induced arthritis model of chronic inflammation. (C) 2007 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2007.10.106

文献信息

• [EN] KINASE INHIBITORS<br/>[FR] INHIBITEURS DE KINASES
  申请人：LILLY CO ELI

  公开号：WO2005075478A1

  公开（公告）日：2005-08-18

  The present invention provides kinase inhibitors of Formula I.

  本发明提供了化合物I的激酶抑制剂。
• Imidazolyl benzimidazoles and imidazo[4,5-b]pyridines as potent p38α MAP kinase inhibitors with excellent in vivo antiinflammatory properties
  作者：Mary Mader、Alfonso de Dios、Chuan Shih、Rosanne Bonjouklian、Tiechao Li、Wesley White、Beatriz López de Uralde、Concepción Sánchez-Martinez、Miriam del Prado、Carlos Jaramillo、Eugenio de Diego、Luisa M. Martín Cabrejas、Carmen Dominguez、Carlos Montero、Timothy Shepherd、Robert Dally、John E. Toth、Arindam Chatterjee、Sehila Pleite、Jaime Blanco-Urgoiti、Leticia Perez、Mario Barberis、María José Lorite、Enrique Jambrina、C. Richard Nevill、Paul A. Lee、Richard C. Schultz、Jeffrey A. Wolos、Li C. Li、Robert M. Campbell、Bryan D. Anderson

  DOI：10.1016/j.bmcl.2007.10.106

  日期：2008.1

  Herein we report investigations into the p38 alpha MAP kinase activity of trisubstituted imidazoles that led to the identification of compounds possessing highly potent in vivo activity. The SAR of a novel series of imidazopyridines is demonstrated as well, resulting in compounds possessing cellular potency and enhanced in vivo activity in the rat collagen-induced arthritis model of chronic inflammation. (C) 2007 Elsevier Ltd. All rights reserved.