N-cyclopropyl-4-methyl-3-[[5-methyl-6-(quinoxaline-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide | 623152-98-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: N-cyclopropyl-4-methyl-3-[[5-methyl-6-(quinoxaline-2-carbonyl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]amino]benzamide
• CAS: 623152-98-7
• 化学式: C₂₇H₂₃N₇O₂
• 分子量: 477.525
• InChiKey: SNPRKKTUSKAVDI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  36
• 可旋转键数：
  6
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.19
• 拓扑面积：
  114
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  ethyl 4-(5-(cyclopropylcarbamoyl)-2-methylphenylamino)-5-methylpyrrolo[1,2-f][1,2,4]triazine-6-carboxylate 在 lithium aluminium tetrahydride 、 Jones reagent 、 sodium hydride 、 1,3-二甲基咪唑 碘 、 sodium 4-methylbenzenesulfinate 作用下， 以 四氢呋喃 、 N,N-二甲基甲酰胺 、 丙酮 为溶剂， 生成 N-cyclopropyl-4-methyl-3-[[5-methyl-6-(quinoxaline-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

• [EN] PYRROLO-TRIAZINE ANILINE COMPOUNDS USEFUL AS KINASE INHIBITORS<br/>[FR] COMPOSES PYRROLO-TRIAZINE ANILINE UTILES EN TANT QU'INHIBITEURS DE KINASE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2003090912A1

  公开（公告）日：2003-11-06

  Compounds having the formula (I), and pharmaceutically acceptable salts, prodrugs, and solvates thereof, are useful as kinase inhibitors, wherein R1, R2, R3, R4, R5, R6, X and Z are as described in the specification.

  具有化学式（I）的化合物，以及其药学上可接受的盐、前药和溶剂化物，可用作激酶抑制剂，其中R1、R2、R3、R4、R5、R6、X和Z如规范中所述。
• Pyrrolo-triazine aniline compounds useful as kinase inhibitors
  申请人：Dyckman Alaric

  公开号：US20070043053A1

  公开（公告）日：2007-02-22

  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：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.
• US7160883B2
  申请人：——

  公开号：US7160883B2

  公开（公告）日：2007-01-09