| 1005349-60-9

• 分子结构分类: 有机化合物 - 有机1,3-偶极化合物 - 烯丙基型1,3-偶极有机化合物
• CAS: 1005349-60-9
• 化学式: C₁₇H₁₇N₃O₂
• 分子量: 295.341
• InChiKey: GRPGLUYHMVXGSC-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.46
• 重原子数：
  22.0
• 可旋转键数：
  4.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.24
• 拓扑面积：
  68.06
• 氢给体数：
  1.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  在 potassium permanganate 、 碳酸氢钠 、 magnesium sulfate 作用下， 以 丙酮 为溶剂， 生成 1-(6-(isobutylamino)-5-nitropyridin-2-yl)-2-phenylethane-1,2-dione
  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
• 作为产物：
  描述：

  6-chloro-N-isobutyl-3-nitropyridin-2-amine 、 苯乙炔 在 palladium diacetate 三乙胺 、 三苯基膦 作用下， 生成
  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