6-benzoyl-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one | 621685-56-1

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 6-benzoyl-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
• CAS: 621685-56-1
• 化学式: C₁₄H₁₁N₃O₂
• 分子量: 253.26
• InChiKey: OKKRWCSTROQYAO-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  19
• 可旋转键数：
  2
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.07
• 拓扑面积：
  63.5
• 氢给体数：
  1
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  6-benzoyl-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one 在 (benzotriazo-1-yloxy)tris(dimethylamino)phosphonium hexafluorophosphate 、 N,N-二异丙基乙胺 、 三氯氧磷 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 3-[(6-benzoyl-5-methylpyrrolo[2,1-f][1,2,4]triazin-4-yl)amino]-N-(2-hydroxyethyl)-4-methylbenzamide
  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
• 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 作用下， 以 四氢呋喃 、 丙酮 为溶剂， 反应 2.58h， 生成 6-benzoyl-5-methyl-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
  参考文献：
  名称：

  [EN] PYRROLO-TRIAZINE ANILINE COMPOUNDS USEFUL AS KINASE INHIBITORS
  [FR] COMPOSES PYRROLO-TRIAZINE ANILINE UTILES EN TANT QU'INHIBITEURS DE KINASE

  摘要：

  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。

  公开号：

  WO2003090912A1

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。
• Aryl ketone pyrrolo-triazine compounds useful as kinase inhibitors
  申请人：——

  公开号：US20030232831A1

  公开（公告）日：2003-12-18

  Compounds having the formula (I), 1 and pharmaceutically acceptable salts, prodrugs, and solvates thereof, are surprisingly advantageous as p38 kinase inhibitors, wherein R 3 is hydrogen, methyl, perfluoromethyl, methoxy, halogen, cyano, NH 2 , or NH(CH 3 ), preferably methyl; X is N or CH; and R 1 through R 6 are as described in the specification.

  具有化学式（I）的化合物及其药学上可接受的盐、前药和溶剂化合物，作为p38激酶抑制剂具有出乎意料的优势，其中R3是氢、甲基、全氟甲基、甲氧基、卤素、氰基、NH2或NH（CH3），优选甲基；X是N或CH；R1至R6如说明书中所述。
• Pyrrolo-triazine compounds useful as kinase inhibitors
  申请人：Bristol-Myers Squibb Company

  公开号：EP2289894A2

  公开（公告）日：2011-03-02

  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.

  具有式（I）的化合物及其药学上可接受的盐、原药和溶液可用作激酶抑制剂，其中 R1、R2、R3、R4、R5、R6、X 和 Z 如说明书所述。
• 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.