5-[(4-methylsulfonyl)phenyl]-4-(2,5-difluorophenyl)-2-(2-chlorophenyl)thiazole

• 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: 5-[(4-methylsulfonyl)phenyl]-4-(2,5-difluorophenyl)-2-(2-chlorophenyl)thiazole
• 英文别名: 2-(2-Chloro-phenyl)-4-(2,5-difluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-thiazole；2-(2-chlorophenyl)-4-(2,5-difluorophenyl)-5-(4-methylsulfonylphenyl)-1,3-thiazole
• 化学式: C₂₂H₁₄ClF₂NO₂S₂
• 分子量: 461.94
• InChiKey: GWIQYAOYWCPJSK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  6
• 重原子数：
  30
• 可旋转键数：
  4
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  83.6
• 氢给体数：
  0
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  2-氯硫代苯甲酰胺 在 间氯过氧苯甲酸 作用下， 以 乙腈 为溶剂， 生成 5-[(4-methylsulfonyl)phenyl]-4-(2,5-difluorophenyl)-2-(2-chlorophenyl)thiazole
  参考文献：
  名称：

  Design and synthesis of sulfonyl-substituted 4,5-diarylthiazoles as selective cyclooxygenase-2 inhibitors

  摘要：

  A series of novel sulfone substituted 4,5-diarylthiazoles have been synthesized and evaluated for their inhibition of the two isoforms of human cyclooxygenase (COX-1 and COX-2). This series displays exceptionally selective COX-2 inhibition. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(99)00158-4

文献信息

• Substituted thiazoles for the treatment of inflammation
  申请人：G.D. SEARLE & CO.

  公开号：EP1125932A2

  公开（公告）日：2001-08-22

  A class of substituted thiazolyl compounds is described for use in treating inflammation and inflammation-related disorders. Compounds of particular interest are defined by Formula II wherein R4 is selected from methyl and amino; wherein R5 is selected from optionally substituted aryl, cycloalkyl, cycloalkenyl and heterocyclic; and wherein R6 is selected from hydrogen or specified substituents; or a pharmaceutically-acceptable salt thereof.

  描述了一类用于治疗炎症和炎症相关疾病的取代噻唑化合物。特别感兴趣的化合物由式 II 定义 其中 R4 选自甲基和氨基；其中 R5 选自任选取代的芳基、环烷基、环烯基和杂环基；其中 R6 选自氢或特定取代基；或其药学上可接受的盐。
• US5668161A
  申请人：——

  公开号：US5668161A

  公开（公告）日：1997-09-16
• Design and synthesis of sulfonyl-substituted 4,5-diarylthiazoles as selective cyclooxygenase-2 inhibitors
  作者：Jeffery S. Carter、D.J. Rogier、Matthew J. Graneto、Karen Seibert、Carol M. Koboldt、Yan Zhang、John J. Talley

  DOI：10.1016/s0960-894x(99)00158-4

  日期：1999.4

  A series of novel sulfone substituted 4,5-diarylthiazoles have been synthesized and evaluated for their inhibition of the two isoforms of human cyclooxygenase (COX-1 and COX-2). This series displays exceptionally selective COX-2 inhibition. (C) 1999 Elsevier Science Ltd. All rights reserved.