2-[[6-[5-(tert-butylsulfamoyl)pyridin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]-N-methylacetamide | 1392061-56-1

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: 2-[[6-[5-(tert-butylsulfamoyl)pyridin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]-N-methylacetamide
• CAS: 1392061-56-1
• 化学式: C₁₉H₂₄N₈O₄S
• 分子量: 460.517
• InChiKey: JNHDBBKZWUWKLB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  32
• 可旋转键数：
  7
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.32
• 拓扑面积：
  168
• 氢给体数：
  4
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  CZC 19945 在 吡啶 、 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 为溶剂， 反应 36.0h， 生成 2-[[6-[5-(tert-butylsulfamoyl)pyridin-3-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]carbamoylamino]-N-methylacetamide
  参考文献：
  名称：

  Discovery of novel PI3Kγ/δ inhibitors as potential agents for inflammation

  摘要：

  Dual PI3K gamma/delta inhibitors have recently been shown to be suitable targets for inflammatory and respiratory diseases. In a recent study we described the discovery of selective PI3K gamma inhibitors based on a triazolopyridine scaffold. Herein, we describe the elaboration of this structural class into dual PI3K gamma/delta inhibitors with excellent selectivity over the other PI3K isoforms and the general kinome. Structural optimization led to the identification of two derivatives which showed significant efficacy in an acute model of lung inflammation. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.05.121

文献信息

• Discovery of novel PI3Kγ/δ inhibitors as potential agents for inflammation
  作者：Katie Ellard、Mihiro Sunose、Kathryn Bell、Nigel Ramsden、Giovanna Bergamini、Gitte Neubauer

  DOI：10.1016/j.bmcl.2012.05.121

  日期：2012.7

  Dual PI3K gamma/delta inhibitors have recently been shown to be suitable targets for inflammatory and respiratory diseases. In a recent study we described the discovery of selective PI3K gamma inhibitors based on a triazolopyridine scaffold. Herein, we describe the elaboration of this structural class into dual PI3K gamma/delta inhibitors with excellent selectivity over the other PI3K isoforms and the general kinome. Structural optimization led to the identification of two derivatives which showed significant efficacy in an acute model of lung inflammation. (C) 2012 Elsevier Ltd. All rights reserved.