4-(1,1''-dimethyl-1H,1''H-4,4''-bipyrazol-3-yl)-N-(4-morpholinophenyl)pyridin-2-amine | 1309880-35-0

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 恶嗪烷类
• 英文名称: 4-(1,1''-dimethyl-1H,1''H-4,4''-bipyrazol-3-yl)-N-(4-morpholinophenyl)pyridin-2-amine
• 英文别名: 4-[1-methyl-4-(1-methylpyrazol-4-yl)pyrazol-3-yl]-N-(4-morpholin-4-ylphenyl)pyridin-2-amine
• CAS: 1309880-35-0
• 化学式: C₂₃H₂₅N₇O
• 分子量: 415.498
• InChiKey: SYAAJXCWEGGAFG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  73
• 氢给体数：
  1
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  4-溴-2-氟吡啶 在 盐酸 、 N-溴代丁二酰亚胺(NBS) 、 四(三苯基膦)钯 、 potassium carbonate 作用下， 以 1,4-二氧六环 、 乙二醇二甲醚 、 水 、 N,N-二甲基甲酰胺 为溶剂， 反应 8.0h， 生成 4-(1,1''-dimethyl-1H,1''H-4,4''-bipyrazol-3-yl)-N-(4-morpholinophenyl)pyridin-2-amine
  参考文献：
  名称：

  Synthesis and SAR of 4-(pyrazol-3-yl)-pyridines as novel c-jun N-terminal kinase inhibitors

  摘要：

  The design and synthesis of a novel series of c-jun N-terminal kinase (JNK) inhibitors is described. The development of the 4-(pyrazol-3-yl)-pyridine series was discovered from an earlier pyrimidine series of JNK inhibitors. Through the optimization of the scaffold 2, several potent compounds with good in vivo profiles were discovered. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2010.11.104

文献信息

• Synthesis and SAR of 4-(pyrazol-3-yl)-pyridines as novel c-jun N-terminal kinase inhibitors
  作者：Romain Noël、Youseung Shin、Xinyi Song、Yuanjun He、Marcel Koenig、Weimin Chen、Yuan Yuan Ling、Li Lin、Claudia H. Ruiz、Phil LoGrasso、Michael D. Cameron、Derek R. Duckett、Theodore M. Kamenecka

  DOI：10.1016/j.bmcl.2010.11.104

  日期：2011.5

  The design and synthesis of a novel series of c-jun N-terminal kinase (JNK) inhibitors is described. The development of the 4-(pyrazol-3-yl)-pyridine series was discovered from an earlier pyrimidine series of JNK inhibitors. Through the optimization of the scaffold 2, several potent compounds with good in vivo profiles were discovered. (C) 2010 Elsevier Ltd. All rights reserved.