N-{3-[4-amino-7-(3-pyridinyl)thieno[3,2-c]pyridin-3-yl]phenyl}-N'-(3,5-dimethyl-4-isoxazolyl)urea | 936846-56-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N-{3-[4-amino-7-(3-pyridinyl)thieno[3,2-c]pyridin-3-yl]phenyl}-N'-(3,5-dimethyl-4-isoxazolyl)urea
• 英文别名: 1-[3-(4-amino-7-pyridin-3-ylthieno[3,2-c]pyridin-3-yl)phenyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea
• CAS: 936846-56-9
• 化学式: C₂₄H₂₀N₆O₂S
• 分子量: 456.528
• InChiKey: UGZBHWFAAFZIDJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.5
• 重原子数：
  33
• 可旋转键数：
  4
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.08
• 拓扑面积：
  147
• 氢给体数：
  3
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  3-吡啶硼酸频哪醇酯 在 吡啶 、 盐酸 、 四(三苯基膦)钯 、 sodium carbonate 作用下， 以 甲醇 、 乙二醇二甲醚 、 水 为溶剂， 反应 3.75h， 生成 N-{3-[4-amino-7-(3-pyridinyl)thieno[3,2-c]pyridin-3-yl]phenyl}-N'-(3,5-dimethyl-4-isoxazolyl)urea
  参考文献：
  名称：

  The discovery of potent and selective 4-aminothienopyridines as B-Raf kinase inhibitors

  摘要：

  A series of novel, potent 4-aminothienopyridine B-Raf kinase inhibitors was designed and synthesized using knowledge-based design. Compounds 5f, and 6k exhibited not only excellent potency in both enzyme assay (IC50 = 5.1, 16.6 nM) and cellular assay (IC50 = 0.2, 0.2 mu M), but also had an outstanding selectivity profile against other kinases. (C) 2012 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2012.11.020

文献信息

• Thienopyridine B-Raf Kinase Inhibitors
  申请人：Tang Jun

  公开号：US20080255184A1

  公开（公告）日：2008-10-16

  The present invention provides thienopyridine compounds, compositions containing the same, as well as processes for the preparation and their use as pharmaceutical agents.

  本发明提供了噻吩并嘧啶化合物，包含这些化合物的组合物，以及制备这些化合物和它们作为药物的用途的过程。
• THIENOPYRIDINE B-RAF KINASE INHIBITORS
  申请人：SmithKline Beecham Corporation

  公开号：EP1951728A2

  公开（公告）日：2008-08-06
• [EN] THIENOPYRIDINE B-RAF KINASE INHIBITORS<br/>[FR] INHIBITEURS DE THIENOPYRIDINE B-RAF KINASE
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2007056625A2

  公开（公告）日：2007-05-18

  [EN] The present invention provides thienopyridine compounds, compositions containing the same, as well as processes for the preparation and their use as pharmaceutical agents.
  [FR] La présente invention concerne des composés thiénopyridine, des compositions les contenant, ainsi que des procédés de préparation et leur utilisation en tant qu'agents pharmaceutiques.
• The discovery of potent and selective 4-aminothienopyridines as B-Raf kinase inhibitors
  作者：Jun Tang、Karen E. Lackey、Scott H. Dickerson

  DOI：10.1016/j.bmcl.2012.11.020

  日期：2013.1

  A series of novel, potent 4-aminothienopyridine B-Raf kinase inhibitors was designed and synthesized using knowledge-based design. Compounds 5f, and 6k exhibited not only excellent potency in both enzyme assay (IC50 = 5.1, 16.6 nM) and cellular assay (IC50 = 0.2, 0.2 mu M), but also had an outstanding selectivity profile against other kinases. (C) 2012 Elsevier Ltd. All rights reserved.