4-(5-(Pyridin-2-ylamino)quinolin-3-yl)benzenesulfonamide | 959932-20-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: 4-(5-(Pyridin-2-ylamino)quinolin-3-yl)benzenesulfonamide
• 英文别名: 4-[5-(pyridin-2-ylamino)quinolin-3-yl]benzenesulfonamide
• CAS: 959932-20-8
• 化学式: C₂₀H₁₆N₄O₂S
• 分子量: 376.439
• InChiKey: XSTSUOAYRBITOB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.2
• 重原子数：
  27
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  106
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  N-(Tert-Butyl)-4-[5-(Pyridin-2-Ylamino)quinolin-3-Yl]benzenesulfonamide 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 生成 4-(5-(Pyridin-2-ylamino)quinolin-3-yl)benzenesulfonamide
  参考文献：
  名称：

  3,5-Disubstituted quinolines as novel c-Jun N-terminal kinase inhibitors

  摘要：

  The structure-based design and synthesis of a novel series of c-Jun N-terminal kinase (JNK) inhibitors with selectivity against p38 is reported. The unique structure of 3,5-disubstituted quinolines (2) was developed from the previously reported 4-(2,7-phenanthrolin-9-yl)phenol (1). The X-ray crystal structure of 16a in JNK3 reveals an unexpected binding mode for this new scaffold with protein.

  DOI：

  10.1016/j.bmcl.2007.08.054

文献信息

• 3,5-Disubstituted quinolines as novel c-Jun N-terminal kinase inhibitors
  作者：Rong Jiang、Derek Duckett、Weiming Chen、Jeff Habel、Yuan Yuan Ling、Philip LoGrasso、Theodore M. Kamenecka

  DOI：10.1016/j.bmcl.2007.08.054

  日期：2007.11

  The structure-based design and synthesis of a novel series of c-Jun N-terminal kinase (JNK) inhibitors with selectivity against p38 is reported. The unique structure of 3,5-disubstituted quinolines (2) was developed from the previously reported 4-(2,7-phenanthrolin-9-yl)phenol (1). The X-ray crystal structure of 16a in JNK3 reveals an unexpected binding mode for this new scaffold with protein.