4-[4-(4-Methanesulfonyl-phenyl)-5-oxo-2,5-dihydro-furan-3-yl]-benzenesulfonamide | 697758-55-7

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 二苯乙烯类
• 英文名称: 4-[4-(4-Methanesulfonyl-phenyl)-5-oxo-2,5-dihydro-furan-3-yl]-benzenesulfonamide
• 英文别名: 4-[4-(4-methylsulfonylphenyl)-5-oxo-2H-furan-3-yl]benzenesulfonamide
• CAS: 697758-55-7
• 化学式: C₁₇H₁₅NO₆S₂
• 分子量: 393.441
• InChiKey: CARPFYSHHSHYMZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  26
• 可旋转键数：
  4
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.12
• 拓扑面积：
  137
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  乙酰氯 、 4-[4-(4-Methanesulfonyl-phenyl)-5-oxo-2,5-dihydro-furan-3-yl]-benzenesulfonamide 以 溶剂黄146 为溶剂， 反应 0.5h， 生成 N-Acetyl-4-[4-(4-methanesulfonyl-phenyl)-5-oxo-2,5-dihydro-furan-3-yl]-benzenesulfonamide
  参考文献：
  名称：

  Sulfonamido, azidosulfonyl and N-acetylsulfonamido analogues of rofecoxib: 4-[4-(N-acetylsulfonamido)phenyl]-3-(4-methanesulfonylphenyl)-2(5H)furanone is a potent and selective cyclooxygenase-2 inhibitor

  摘要：

  4-[4-(N-Acetylsulfonamido)phenyl]-3-(4-methanesulfonylphenyl)-2(5H)furanone, possessing a N-acetylsulfonamido pharmacophore, has been identified as a potent and selective COX-2 inhibitor that has the potential to acetylate the COX-2 isozyme. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.01.076
• 作为产物：
  描述：

  4-甲烷磺酰基苯乙酸 在 氯磺酸 、 氨 、 1,8-二氮杂双环[5.4.0]十一碳-7-烯 、 三乙胺 作用下， 以 四氢呋喃 、 乙腈 为溶剂， 反应 4.08h， 生成 4-[4-(4-Methanesulfonyl-phenyl)-5-oxo-2,5-dihydro-furan-3-yl]-benzenesulfonamide
  参考文献：
  名称：

  Sulfonamido, azidosulfonyl and N-acetylsulfonamido analogues of rofecoxib: 4-[4-(N-acetylsulfonamido)phenyl]-3-(4-methanesulfonylphenyl)-2(5H)furanone is a potent and selective cyclooxygenase-2 inhibitor

  摘要：

  4-[4-(N-Acetylsulfonamido)phenyl]-3-(4-methanesulfonylphenyl)-2(5H)furanone, possessing a N-acetylsulfonamido pharmacophore, has been identified as a potent and selective COX-2 inhibitor that has the potential to acetylate the COX-2 isozyme. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2004.01.076

文献信息

• Sulfonamido, azidosulfonyl and N-acetylsulfonamido analogues of rofecoxib: 4-[4-(N-acetylsulfonamido)phenyl]-3-(4-methanesulfonylphenyl)-2(5H)furanone is a potent and selective cyclooxygenase-2 inhibitor
  作者：Afshin Zarghi、P.N Praveen Rao、Edward E Knaus

  DOI：10.1016/j.bmcl.2004.01.076

  日期：2004.4

  4-[4-(N-Acetylsulfonamido)phenyl]-3-(4-methanesulfonylphenyl)-2(5H)furanone, possessing a N-acetylsulfonamido pharmacophore, has been identified as a potent and selective COX-2 inhibitor that has the potential to acetylate the COX-2 isozyme. (C) 2004 Elsevier Ltd. All rights reserved.