3-[(6-Benzoyl-5-Methylpyrrolo[2,1-F][1,2,4]triazin-4-Yl)amino]-N-Cyclopropyl-4-Methylbenzamide | 623152-48-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: 3-[(6-Benzoyl-5-Methylpyrrolo[2,1-F][1,2,4]triazin-4-Yl)amino]-N-Cyclopropyl-4-Methylbenzamide
• CAS: 623152-48-7
• 化学式: C₂₅H₂₃N₅O₂
• 分子量: 425.49
• InChiKey: CQPNJQRTSADQCI-UHFFFAOYSA-N

物化性质

• 密度：
  1.35±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  4.2
• 重原子数：
  32
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  88.4
• 氢给体数：
  2
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  3-氨基-4-甲基苯甲酸 在 4-二甲氨基吡啶 、 盐酸-N-乙基-Nˊ-(3-二甲氨基丙基)碳二亚胺 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 3.0h， 生成 3-[(6-Benzoyl-5-Methylpyrrolo[2,1-F][1,2,4]triazin-4-Yl)amino]-N-Cyclopropyl-4-Methylbenzamide
  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

• P38 kinase inhibitors reduce DUX4 and downstream gene expression for the treatment of FSHD
  申请人：Fulcrum Therapeutics, Inc.

  公开号：US10342786B2

  公开（公告）日：2019-07-09

  The disclosure relates to methods and compositions including p38 kinase inhibitors and agents that regulate expression of DUX4 and downstream genes including but not restricted to ZSCAN4, LEUTX, PRAMEF2, TRIM43, MBD3L2, KHDC1L, RFPL2, CCNA1, SLC34A2, TPRX1, PRAMEF20, TRIM49, PRAMEF4, PRAME6, PRAMEF15, or ZNF280A. Methods useful for treating a disease associated with abnormal DUX4 and downstream gene expression (e.g., Fascioscapulohumeral muscular dystrophy) are disclosed.

  本发明公开了包括 p38 激酶抑制剂和调节 DUX4 及下游基因（包括但不限于 ZSCAN4、LEUTX、PRAMEF2、TRIM43、MBD3L2、KHDC1L、RFPL2、CCNA1、SLC34A2、TPRX1、PRAMEF20、TRIM49、PRAMEF4、PRAME6、PRAMEF15 或 ZNF280A）表达的制剂在内的方法和组合物。本研究公开了用于治疗与 DUX4 及下游基因表达异常有关的疾病（如筋膜囊性肌营养不良症）的方法。
• Discovery of pyrrolo[2,1-f][1,2,4]triazine C6-ketones as potent, orally active p38α MAP kinase inhibitors
  作者：Alaric J. Dyckman、Tianle Li、Sidney Pitt、Rosemary Zhang、Ding Ren Shen、Kim W. McIntyre、Kathleen M. Gillooly、David J. Shuster、Arthur M. Doweyko、John S. Sack、Kevin Kish、Susan E. Kiefer、John A. Newitt、Hongjian Zhang、Punit H. Marathe、Murray McKinnon、Joel C. Barrish、John H. Dodd、Gary L. Schieven、Katerina Leftheris

  DOI：10.1016/j.bmcl.2011.05.091

  日期：2011.8

  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.
• 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.