ethyl-6-chloro-8-[(4-methyl-sulfonyl)phenyl]-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylate | 215124-29-1

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 新黄酮类化合物
• 英文名称: ethyl-6-chloro-8-[(4-methyl-sulfonyl)phenyl]-2-(trifluoromethyl)-2H-1-benzopyran-3-carboxylate
• 英文别名: ethyl 6-chloro-8-(4-methylsulfonylphenyl)-2-(trifluoromethyl)-2H-chromene-3-carboxylate
• CAS: 215124-29-1
• 化学式: C₂₀H₁₆ClF₃O₅S
• 分子量: 460.858
• InChiKey: OHTBIBCMUXIPCB-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.8
• 重原子数：
  30
• 可旋转键数：
  5
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  78
• 氢给体数：
  0
• 氢受体数：
  8

文献信息

• Substituted benzopyran analogs for the treatment of inflammation
  申请人：G.D. Searle & Co.

  公开号：US20020010206A1

  公开（公告）日：2002-01-24

  A class of benzopyrans, benzothiopyrans, dihydroquinolines, dihydronaphthalenes, and analogs thereof, is described for use in treating cyclooxygenase-2 mediated disorders. Compounds of particular interest are defined by Formula I′ 1 wherein X, A 1 , A 2 , A 3 , A 4 , R, R″, R 1 and R 2 are as described in the specification.

  本发明涉及一类苯并吡喃、苯并噻吩、二氢喹啉、二氢萘及其类似物，用于治疗环氧化酶-2介导的疾病。特别感兴趣的化合物由式I'1定义，其中X、A1、A2、A3、A4、R、R″、R1和R2如规范所述。
• Substituted bezopyran derivatives for the treatment of inflammation
  申请人：G.D. Searle & Co.

  公开号：US20040038977A1

  公开（公告）日：2004-02-26

  A class of benzopyrans, benzothiopyrans, dihydroquinolines, dihydronaphthalenes, and analogs thereof, is described for use in treating cyclooxygenase-2 mediated disorders. Compounds of particular interest are defined by Formula I′ 1 wherein X, A 1 , A 2 , A 3 , A 4 , R, R″, R 1 and R 2 are as described in the specification.

  本文介绍了一类苯并吡喃、苯并噻吩、二氢喹啉、二氢萘和其类似物，用于治疗环氧合酶-2介导的疾病。特别感兴趣的化合物由公式I'1定义，其中X、A1、A2、A3、A4、R、R″、R1和R2如规范中所述。
• Substituted benzopyran derivatives for the treatment of inflammation
  申请人：Carter S. Jeffery

  公开号：US20050049252A1

  公开（公告）日：2005-03-03

  A class of benzopyran, derivatives is described for use in treating cyclooxygenase-2 mediated disorders. Compounds of particular interest are defined by Formula I′ wherein X, A 1 , A 2 , A 3 , A 4 , R, R″, R 1 and R 2 are as described in the specification.

  一类苯并吡喃衍生物被描述为用于治疗环氧合酶-2介导的疾病。特别感兴趣的化合物由公式I'定义，其中X，A1，A2，A3，A4，R，R"，R1和R2如规范中所述。
• SUBSTITUTED BENZOPYRAN DERIVATIVES FOR THE TREATMENT OF INFLAMMATION
  申请人：G.D. SEARLE & CO.

  公开号：EP0977748B1

  公开（公告）日：2003-03-26
• SUBSTITUTED BENZOPYRAN ANALOGS FOR THE TREATMENT OF INFLAMMATION
  申请人：G.D. SEARLE & CO.

  公开号：EP1123285A1

  公开（公告）日：2001-08-16