2-(4-ethoxyphenyl)-3-(4-methylsulfonylphenyl)-7H-pyrazolo[1,5-b]pyridazin-6-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 2-(4-ethoxyphenyl)-3-(4-methylsulfonylphenyl)-7H-pyrazolo[1,5-b]pyridazin-6-one
• 化学式: C₂₁H₁₉N₃O₄S
• 分子量: 409.5
• InChiKey: CBPBJPJFVCROAU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  98.7
• 氢给体数：
  1
• 氢受体数：
  5

文献信息

• [EN] CHEMICAL COMPOUNDS<br/>[FR] COMPOSES CHIMIQUES
  申请人：GLAXO GROUP LTD

  公开号：WO2002032895A1

  公开（公告）日：2002-04-25

  The invention provides the compounds of formula (I) and pharmaceutically acceptable derivatives thereof in which, R1 is halogen, C1-6alkyl, C1-6alkoxy substituted by one or more fluorine atoms, or O(CH¿2?)1-4NR?4R5; R2¿ is hydroxy; R3 is C¿1-6?alkyl or NH2; and R?4 and R5¿ are independently selected from H, or C¿1-6?alkyl or, together with the nitrogen atom to which they are attached, form a 4-8 membered saturated ring. Compounds of formula (I) are potent and selective inhibitors of COX-2 and are of use in the treatment of the pain, fever, inflammation of a variety of conditions and diseases.