5-bromo-4-(4-methylsulfonylphenyl)-1H-pyridazin-6-one | 552865-15-3

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: 5-bromo-4-(4-methylsulfonylphenyl)-1H-pyridazin-6-one
• CAS: 552865-15-3
• 化学式: C₁₁H₉BrN₂O₃S
• 分子量: 329.174
• InChiKey: DMEXNVLESDVHIZ-UHFFFAOYSA-N

物化性质

• 密度：
  1.71±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  18
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  84
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  5-bromo-4-(4-methylsulfonylphenyl)-1H-pyridazin-6-one 、 alkaline earth salt of/the/ methylsulfuric acid 在 potassium carbonate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 生成 2-Benzyl-4-(2-propoxy)-5-[4-(methylsulfonyl)phenyl]-3(2H)-pyridazinone
  参考文献：
  名称：

  Pyridazinones as selective cyclooxygenase-2 inhibitors

  摘要：

  Pyridazinone was found to be an excellent core template for selective COX-2 inhibitors. Two potent. selective and orally active COX-2 inhibitors, which were highly efficacious in rat paw edema and rat paresis models. have been obtained. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)01045-4
• 作为产物：
  描述：

  3-Bromo-5-hydroxy-4-(4-methanesulfonyl-phenyl)-5H-furan-2-one 在 肼 作用下， 以84%的产率得到5-bromo-4-(4-methylsulfonylphenyl)-1H-pyridazin-6-one
  参考文献：
  名称：

  Pyridazinones as selective cyclooxygenase-2 inhibitors

  摘要：

  Pyridazinone was found to be an excellent core template for selective COX-2 inhibitors. Two potent. selective and orally active COX-2 inhibitors, which were highly efficacious in rat paw edema and rat paresis models. have been obtained. (C) 2003 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0960-894x(02)01045-4

文献信息

• Pyridazinones as selective cyclooxygenase-2 inhibitors
  作者：Chun Sing Li、Christine Brideau、Chi Chung Chan、Chantal Savoie、David Claveau、Stella Charleson、Robert Gordon、Gillian Greig、Jacques Yves Gauthier、Cheuk K Lau、Denis Riendeau、Michel Thérien、Elizabeth Wong、Petpiboon Prasit

  DOI：10.1016/s0960-894x(02)01045-4

  日期：2003.2

  Pyridazinone was found to be an excellent core template for selective COX-2 inhibitors. Two potent. selective and orally active COX-2 inhibitors, which were highly efficacious in rat paw edema and rat paresis models. have been obtained. (C) 2003 Elsevier Science Ltd. All rights reserved.