1-(5-氟-6-甲基吡啶-2-基)-2-(6-喹喔啉基)乙酮 | 1132610-44-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 中文名称: 1-(5-氟-6-甲基吡啶-2-基)-2-(6-喹喔啉基)乙酮
• 中文别名: 1-(5-氟-6-甲基吡啶-2-基)-2-(喹喔啉-6-基)乙酮
• 英文名称: 1-(5-fluoro-6-methylpyridin-2-yl)-2-quinoxalin-6-yl-ethanone
• 英文别名: 1-(5-Fluoro-6-methylpyridin-2-yl)-2-(quinoxalin-6-yl)ethanone；1-(5-fluoro-6-methylpyridin-2-yl)-2-quinoxalin-6-ylethanone
• CAS: 1132610-44-6
• 化学式: C₁₆H₁₂FN₃O
• 分子量: 281.289
• InChiKey: MNFNUEHQRUSBKJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  21
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  55.7
• 氢给体数：
  0
• 氢受体数：
  5

安全信息

• 海关编码：
  2933990090

反应信息

• 作为反应物：
  描述：

  1-(5-氟-6-甲基吡啶-2-基)-2-(6-喹喔啉基)乙酮 在 溴 作用下， 以 1,4-二氧六环 为溶剂， 以100%的产率得到2-Bromo-1-(5-fluoro-6-methylpyridin-2-yl)-2-(quinoxalin-6-yl)ethanone
  参考文献：
  名称：

  2-Aminoimidazoles inhibitors of TGF-β receptor 1

  摘要：

  The 4-(5-fluoro-6-methyl-pyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-ylamine 3 is a potent and selective inhibitor of TGF-betaR1. Substitution of the amino group of 3 typically led to a slight decrease in the affinity for the receptor and in TGF-beta-inducted PAI-luciferase reporter activity. However, 2-acetamidoimidazoles were identified as attractive candidates for further optimization as a result of their significant activity combined to their superior pharmacokinetic profile.

  DOI：

  10.1016/j.bmcl.2008.11.119

文献信息

• 2-Aminoimidazoles inhibitors of TGF-β receptor 1
  作者：Dominique Bonafoux、Claudio Chuaqui、P. Ann Boriack-Sjodin、Chris Fitch、Gretchen Hankins、Serene Josiah、Cheryl Black、Gregg Hetu、Leona Ling、Wen-Cherng Lee

  DOI：10.1016/j.bmcl.2008.11.119

  日期：2009.2

  The 4-(5-fluoro-6-methyl-pyridin-2-yl)-5-quinoxalin-6-yl-1H-imidazol-2-ylamine 3 is a potent and selective inhibitor of TGF-betaR1. Substitution of the amino group of 3 typically led to a slight decrease in the affinity for the receptor and in TGF-beta-inducted PAI-luciferase reporter activity. However, 2-acetamidoimidazoles were identified as attractive candidates for further optimization as a result of their significant activity combined to their superior pharmacokinetic profile.