N-(3-(5-(2-chloro-4-pyrimidinyl)-2-(1-methylethyl)-1,3-thiazol-4-yl)phenyl)-2,6-difluorobenzamide | 1160625-69-3

• 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)phenyl)-2,6-difluorobenzamide
• 英文别名: N-{3-[5-(2-Chloro-4-pyrimidinyl)-2-(1-methylethyl)-1,3-thiazol-4-yl]phenyl}-2,6-difluorobenzamide；N-[3-[5-(2-chloropyrimidin-4-yl)-2-propan-2-yl-1,3-thiazol-4-yl]phenyl]-2,6-difluorobenzamide
• CAS: 1160625-69-3
• 化学式: C₂₃H₁₇ClF₂N₄OS
• 分子量: 470.93
• InChiKey: YENVUBZLNLWFCY-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5.8
• 重原子数：
  32
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.13
• 拓扑面积：
  96
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  1,2,3,4-四氢-2-甲基-7-异喹啉胺 、 N-(3-(5-(2-chloro-4-pyrimidinyl)-2-(1-methylethyl)-1,3-thiazol-4-yl)phenyl)-2,6-difluorobenzamide 在 盐酸 、 2,2,2-三氟乙醇 作用下， 以 水 为溶剂， 生成 2,6-difluoro-N-[3-[5-[2-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]pyrimidin-4-yl]-2-propan-2-yl-1,3-thiazol-4-yl]phenyl]benzamide
  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：

  N-(3-((2-chloro-4-pyrimidinyl)acetyl)phenyl)-2,6-difluorobenzamide 在 N-溴代丁二酰亚胺(NBS) 作用下， 以 二氯甲烷 为溶剂， 生成 N-(3-(5-(2-chloro-4-pyrimidinyl)-2-(1-methylethyl)-1,3-thiazol-4-yl)phenyl)-2,6-difluorobenzamide
  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

• [EN] THIAZOLE AND OXAZOLE KINASE INHIBITORS<br/>[FR] INHIBITEURS DE KINASE À BASE DE THIAZOLE ET D'OXAZOLE
  申请人：SMITHKLINE BEECHAM CORP

  公开号：WO2009076140A1

  公开（公告）日：2009-06-18

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

  本发明提供了噻唑和恶唑化合物、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应用方法。
• Thiazole And Oxazole Kinase Inhibitors
  申请人：Adjabeng George

  公开号：US20110098296A1

  公开（公告）日：2011-04-28

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

  本发明提供了噻唑和异噁唑化合物，包含它们的组合物，以及制备它们的方法和用作药物的方法。