2-[4-[4-[[7-[3-[Methyl(methylsulfonyl)amino]phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide | 1232786-37-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 2-[4-[4-[[7-[3-[Methyl(methylsulfonyl)amino]phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide
• CAS: 1232786-37-6
• 化学式: C₂₇H₃₁N₇O₃S
• 分子量: 533.654
• InChiKey: PQISYCKBAAVHIB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  38
• 可旋转键数：
  8
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  134
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  4-(4-硝基苯基)哌啶 在 palladium on activated charcoal 、 氢气 、 caesium carbonate 作用下， 以 甲醇 、 乙腈 为溶剂， 生成 2-[4-[4-[[7-[3-[Methyl(methylsulfonyl)amino]phenyl]pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]piperidin-1-yl]acetamide
  参考文献：
  名称：

  Optimization of a novel kinase inhibitor scaffold for the dual inhibition of JAK2 and FAK kinases

  摘要：

  The elaboration of a novel scaffold for the inhibition of JAK2 and FAK kinases was targeted in order to provide a dual inhibitor that could target divergent pathways for tumor cell progression. (C) 2011 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.11.049

文献信息

• [EN] PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS<br/>[FR] PYRROLOTRIAZINES EN TANT QU'INHIBITEURS D'ALK ET DE JAK2
  申请人：CEPHALON INC

  公开号：WO2010071885A1

  公开（公告）日：2010-06-24

  The present invention provides a compound of formula (I) or a salt form thereof, wherein Q1, Q2, Q3, and Q4 are as defined herein. The compound of formula (I) has ALK and/or JAK2 inhibitory activity, and may be used to treat proliferative disorders.

  本发明提供了一种式（I）的化合物或其盐形式，其中Q1、Q2、Q3和Q4如本文所定义。式（I）的化合物具有ALK和/或JAK2抑制活性，并可用于治疗增殖性疾病。
• PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS
  申请人：Breslin Henry J.

  公开号：US20120028919A1

  公开（公告）日：2012-02-02

  The present invention provides a compound of formula I or a salt form thereof, wherein Q 1 , Q 2 , Q 3 , and Q 4 are as defined herein. The compound of formula I has ALK and/or JAK2 inhibitory activity, and may be used to treat proliferative disorders.

  本发明提供了公式I或其盐形式的化合物，其中Q1、Q2、Q3和Q4的定义如本文所述。公式I的化合物具有ALK和/或JAK2抑制活性，可用于治疗增生性疾病。
• US8471005B2
  申请人：——

  公开号：US8471005B2

  公开（公告）日：2013-06-25
• [EN] FUSED PYRIMIDINE COMPOUNDS AS BRD4 AND JAK2 DUAL INHIBITORS AND METHODS FOR USE THEREOF<br/>[FR] COMPOSÉS DE PYRIMIDINE FUSIONNÉS EN TANT QU'INHIBITEURS DOUBLES DE BRD4 ET DE JAK2 ET LEURS PROCÉDÉS D'UTILISATION
  申请人：APTOSE BIOSCIENCES INC

  公开号：WO2018098561A1

  公开（公告）日：2018-06-07

  The present invention relates to fused pyrimidine compounds, particularly pyrrolopyrimidine and thienopyrimidine compounds and derivatives thereof, pharmaceutical compositions thereof, and methods of inhibiting BRD4 and/or JAK2, as well as methods of treating various diseases and conditions, such as cancer and leukemia, with such compounds. Bromodomain binding and JAK activity are included.
• Optimization of a novel kinase inhibitor scaffold for the dual inhibition of JAK2 and FAK kinases
  作者：Craig A. Zificsak、Diane E. Gingrich、Henry J. Breslin、Derek D. Dunn、Karen L. Milkiewicz、Jay P. Theroff、Tho V. Thieu、Ted L. Underiner、Linda R. Weinberg、Lisa D. Aimone、Mark S. Albom、Jennifer L. Mason、Lisa Saville、Jean Husten、Thelma S. Angeles、James P. Finn、Mahfuza Jan、Teresa M. O’Kane、Pawel Dobrzanski、Bruce D. Dorsey

  DOI：10.1016/j.bmcl.2011.11.049

  日期：2012.1

  The elaboration of a novel scaffold for the inhibition of JAK2 and FAK kinases was targeted in order to provide a dual inhibitor that could target divergent pathways for tumor cell progression. (C) 2011 Elsevier Ltd. All rights reserved.