N,4-dimethyl-3-[[5-methyl-6-(6-methylpyridine-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide | 621685-47-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N,4-dimethyl-3-[[5-methyl-6-(6-methylpyridine-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
• CAS: 621685-47-0
• 化学式: C₂₃H₂₂N₆O₂
• 分子量: 414.467
• InChiKey: YBKNWUBREYVZFU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.3
• 重原子数：
  31
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.17
• 拓扑面积：
  101
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  (9CI)-1,4-二氢-5-甲基-4-氧代-吡咯并[2,1-f][1,2,4]三嗪-6-羧醛 在 Jones reagent 、 N,N-二异丙基乙胺 、 三氯氧磷 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 生成 N,4-dimethyl-3-[[5-methyl-6-(6-methylpyridine-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
  参考文献：
  名称：

  Discovery of pyrrolo[2,1-f][1,2,4]triazine C6-ketones as potent, orally active p38α MAP kinase inhibitors

  摘要：

  Pyrrolo[2,1-f][1,2,4] triazine based inhibitors of p38 alpha have been prepared exploring functional group modifications at the C6 position. Incorporation of aryl and heteroaryl ketones at this position led to potent inhibitors with efficacy in in vivo models of acute and chronic inflammation. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.05.091

文献信息

• Pyrrolo-Triazine Aniline Compounds Useful As Kinase Inhibitors
  申请人：Dyckman Alaric

  公开号：US20090105243A1

  公开（公告）日：2009-04-23

  Compounds having the formula (I), and pharmaceutically acceptable salts, prodrugs, and solvates thereof, are useful as kinase inhibitors, wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , X and Z are as described in the specification.
• PYRROLO-TRIAZINE ANILINE COMPOUNDS USEFUL AS KINASE INHIBITORS
  申请人：Dyckman Alaric

  公开号：US20100240646A1

  公开（公告）日：2010-09-23

  Compounds having the formula (I), and pharmaceutically acceptable salts, prodrugs, and solvates thereof, are useful as kinase inhibitors, wherein R 1 , R 2 , R 3 , R 4 , R 5 , R 6 , X and Z are as described in the specification.
• US7314876B2
  申请人：——

  公开号：US7314876B2

  公开（公告）日：2008-01-01