4-(5-Methyl-1-oxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinolin-8-yl)benzamide | 1245505-18-3

• 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-Methyl-1-oxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinolin-8-yl)benzamide
• 英文别名: 4-(5-methyl-1-oxo-2H-[1,2,4]triazolo[4,3-a]quinolin-8-yl)benzamide
• CAS: 1245505-18-3
• 化学式: C₁₈H₁₄N₄O₂
• 分子量: 318.335
• InChiKey: RIMYUFMZBDMRMP-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.6
• 重原子数：
  24
• 可旋转键数：
  2
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.06
• 拓扑面积：
  87.8
• 氢给体数：
  2
• 氢受体数：
  3

反应信息

• 作为产物：
  描述：

  8-bromo-5-methyl-[1,2,4]-triazolo[4,3-a]quinolin-1-one 、 4-氨基甲酰苯硼酸 在 四(三苯基膦)钯 作用下， 反应 0.33h， 生成 4-(5-Methyl-1-oxo-1,2-dihydro-[1,2,4]triazolo[4,3-a]quinolin-8-yl)benzamide
  参考文献：
  名称：

  Discovery of a novel class of triazolones as Checkpoint Kinase inhibitors—Hit to lead exploration

  摘要：

  Checkpoint Kinase-1 (Chk1, CHK1, CHEK1) is a Ser/Thr protein kinase that mediates cellular responses to DNA-damage. A novel class of Chk1 inhibitors, triazoloquinolones/triazolones (TZ's) was identified by high throughput screening. The optimization of these hits to provide a lead series is described.

  DOI：

  10.1016/j.bmcl.2010.07.015

文献信息

• Discovery of a novel class of triazolones as Checkpoint Kinase inhibitors—Hit to lead exploration
  作者：Vibha Oza、Susan Ashwell、Patrick Brassil、Jason Breed、Chun Deng、Jay Ezhuthachan、Heather Haye、Candice Horn、James Janetka、Paul Lyne、Nicholas Newcombe、Ludo Otterbien、Martin Pass、Jon Read、Sian Roswell、Mei Su、Dorin Toader、Dingwei Yu、Yan Yu、Anna Valentine、Peter Webborn、Ann White、Sonya Zabludoff、Xiaolan Zheng

  DOI：10.1016/j.bmcl.2010.07.015

  日期：2010.9

  Checkpoint Kinase-1 (Chk1, CHK1, CHEK1) is a Ser/Thr protein kinase that mediates cellular responses to DNA-damage. A novel class of Chk1 inhibitors, triazoloquinolones/triazolones (TZ's) was identified by high throughput screening. The optimization of these hits to provide a lead series is described.