2-(4-((4-methylphenyl)acetyl)-1-piperazinyl)-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazine-4-amine | 1221267-40-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪烷类
• 英文名称: 2-(4-((4-methylphenyl)acetyl)-1-piperazinyl)-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazine-4-amine
• 英文别名: 2-(4-methylphenyl)-1-[4-[4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrrolo[2,1-f][1,2,4]triazin-2-yl]piperazin-1-yl]ethanone
• CAS: 1221267-40-8
• 化学式: C₂₃H₂₆N₈O
• 分子量: 430.512
• InChiKey: LTGPUQZRLFLMGW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  94.4
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-chloro-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine 在 N,N-二异丙基乙胺 、 Methanaminium,N-[(dimethylamino)(3H-1,2,3-triazolo[4,5-b]pyridin-3-yloxy)methylene]-N-methyl-, hexafluorophosphate(1-) 作用下， 以 N-甲基吡咯烷酮 、 N,N-二甲基甲酰胺 为溶剂， 反应 20.0h， 生成 2-(4-((4-methylphenyl)acetyl)-1-piperazinyl)-N-(5-methyl-1H-pyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazine-4-amine
  参考文献：
  名称：

  Pyrrolo[1,2-f]triazines as JAK2 inhibitors: Achieving potency and selectivity for JAK2 over JAK3

  摘要：

  SAR studies of pyrrolo[1,2-f]triazines as JAK2 inhibitors is presented. Achieving JAK2 inhibition selectively over JAK3 is discussed. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.01.022

文献信息

• PYRROLOTRIAZINE KINASE INHIBITORS
  申请人：Purandare Ashok Vinayak

  公开号：US20110294816A1

  公开（公告）日：2011-12-01

  The present invention provides compounds of formula I and pharmaceutically acceptable salts thereof. The formula I compounds inhibit tyrosine kinase activity of such as Jak2 and CK2, thereby making them useful as antiproliferative agents for the treatment of cancer and other diseases.

  本发明提供公式I化合物及其药学上可接受的盐。公式I化合物抑制酪氨酸激酶活性，如Jak2和CK2，从而使它们在治疗癌症和其他疾病的抗增殖剂中有用。
• US8445676B2
  申请人：——

  公开号：US8445676B2

  公开（公告）日：2013-05-21
• [EN] PYRROLOTRIAZINE KINASE INHIBITORS<br/>[FR] INHIBITEURS DE LA PYRROLOTRIAZINE KINASE
  申请人：BRISTOL MYERS SQUIBB CO

  公开号：WO2010042684A1

  公开（公告）日：2010-04-15

  The present invention provides compounds of formula (I) and pharmaceutically acceptable salts thereof. The formula (I) compounds inhibit tyrosine kinase activity of such as Jak2 and CK2, thereby making them useful as antiproliferative agents for the treatment of cancer and other diseases.
• Pyrrolo[1,2-f]triazines as JAK2 inhibitors: Achieving potency and selectivity for JAK2 over JAK3
  作者：Lalgudi S. Harikrishnan、Muthoni G. Kamau、Honghe Wan、Jennifer A. Inghrim、Kurt Zimmermann、Xiaopeng Sang、Harold A. Mastalerz、Walter L. Johnson、Guifen Zhang、Louis J. Lombardo、Michael A. Poss、George L. Trainor、John S. Tokarski、Matthew V. Lorenzi、Dan You、Marco M. Gottardis、Kathy F. Baldwin、Jonathan Lippy、David S. Nirschl、Ruhui Qiu、Arthur V. Miller、Javed Khan、John S. Sack、Ashok V. Purandare

  DOI：10.1016/j.bmcl.2011.01.022

  日期：2011.3

  SAR studies of pyrrolo[1,2-f]triazines as JAK2 inhibitors is presented. Achieving JAK2 inhibition selectively over JAK3 is discussed. (C) 2011 Elsevier Ltd. All rights reserved.