N-{3-[5-(2-chloro-4-pyrimidinyl)-2-(1-methylethyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide | 1195768-22-9

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: N-{3-[5-(2-chloro-4-pyrimidinyl)-2-(1-methylethyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide
• 英文别名: N-[3-[5-(2-chloropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
• CAS: 1195768-22-9
• 化学式: C₂₂H₁₆ClF₃N₄O₂S₂
• 分子量: 524.975
• InChiKey: GUUCOYXKFNWGJG-UHFFFAOYSA-N

物化性质

• 沸点：
  629.2±65.0 °C(Predicted)
• 密度：
  1.487±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  5.5
• 重原子数：
  34
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  122
• 氢给体数：
  1
• 氢受体数：
  10

反应信息

• 作为反应物：
  描述：

  3-氨基-6-吗啉基吡啶 、 N-{3-[5-(2-chloro-4-pyrimidinyl)-2-(1-methylethyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide 在 盐酸 、 2,2,2-三氟乙醇 作用下， 以 水 为溶剂， 生成 B-Raf IN 18
  参考文献：
  名称：

  Development of potent B-RafV600E inhibitors containing an arylsulfonamide headgroup

  摘要：

  A potent series of inhibitors against the B-RafV600E kinase have been developed that show excellent activity in cellular assays and good oral bioavailability in rats. The key structural features of the series are an arylsulfonamide headgroup, a thiazole core, and a fluorine ortho to the sulfonamide nitrogen. Crown Copyright (C) 2011 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.06.021
• 作为产物：
  描述：

  3-氨基-2-氟苯甲酸 在 吡啶 、 N-溴代丁二酰亚胺(NBS) 、 硫酸 、 lithium hexamethyldisilazane 作用下， 以 二氯甲烷 、 N,N-二甲基甲酰胺 为溶剂， 生成 N-{3-[5-(2-chloro-4-pyrimidinyl)-2-(1-methylethyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide
  参考文献：
  名称：

  Development of potent B-RafV600E inhibitors containing an arylsulfonamide headgroup

  摘要：

  A potent series of inhibitors against the B-RafV600E kinase have been developed that show excellent activity in cellular assays and good oral bioavailability in rats. The key structural features of the series are an arylsulfonamide headgroup, a thiazole core, and a fluorine ortho to the sulfonamide nitrogen. Crown Copyright (C) 2011 Published by Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2011.06.021

文献信息

• Benzene Sulfonamide Thiazole and Oxazole Compounds
  申请人：Adams Jerry Leroy

  公开号：US20090298815A1

  公开（公告）日：2009-12-03

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

  本发明提供了噻唑磺胺和噁唑磺胺化合物，含有这些化合物的组合物，以及用作药物制剂的制备方法和使用方法。
• [EN] THIAZOLE SULFONAMIDE AND OXAZOLE SULFONAMIDE KINASE INHIBITORS<br/>[FR] INHIBITEURS DE THIAZOLE SULFONAMIDE ET OXAZOLE SULFONAMIDE KINASES
  申请人：GLAXOSMITHKLINE LLC

  公开号：WO2010104899A1

  公开（公告）日：2010-09-16

  The present invention provides thiazole sulfonamide and oxazole sulfonamide compounds, compositions containing the same, as well as processes for the preparation and methods for their use as pharmaceutical agents

  本发明提供了噻唑磺酰胺和恶唑磺酰胺化合物、含有该化合物的组合物，以及它们的制备方法和作为药物的使用方法。
• Benzene Sulfonamide Thiazole And Oxazole Compounds
  申请人：Adjabeng George

  公开号：US20110172215A1

  公开（公告）日：2011-07-14

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

  本发明提供了噻唑磺酰胺和噁唑磺酰胺化合物，含有这些化合物的组合物，以及制备这些化合物的过程和将其用作药物的方法。
• Benzene sulfonamide thiazole and oxazole compounds
  申请人：Glaxo Smith Kline LLC

  公开号：US07994185B2

  公开（公告）日：2011-08-09

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

  本发明提供了噻唑磺酰胺和噁唑磺酰胺化合物，包含它们的组合物，以及制备这些化合物的方法和将其用作药物的方法。
• Thiazole Sulfonamide And Oxazole Sulfonamide Kinase Inhibitors
  申请人：Adjabeng George

  公开号：US20110319392A1

  公开（公告）日：2011-12-29

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

  本发明提供了噻唑磺酰胺和噁唑磺酰胺化合物，含有它们的组合物，以及制备它们的过程和作为药物剂的方法。