3,3,4,4,5,5,6,6,6-nonafluoro-n-hexanesulfonamide | 29765-93-3

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 有机磺酸及其衍生物
• 英文名称: 3,3,4,4,5,5,6,6,6-nonafluoro-n-hexanesulfonamide
• 英文别名: 3,3,4,4,5,5,6,6,6-nonafluorohexane-1-sulfonamide
• CAS: 29765-93-3
• 化学式: C₆H₆F₉NO₂S
• 分子量: 327.171
• InChiKey: KKHMBQUHTGIUDQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  19
• 可旋转键数：
  5
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  68.5
• 氢给体数：
  1
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  3,3,4,4,5,5,6,6,6-九氟己烷-1-磺酰氯 在 氨 作用下， 以 乙酸乙酯 为溶剂， 反应 0.75h， 以90%的产率得到3,3,4,4,5,5,6,6,6-nonafluoro-n-hexanesulfonamide
  参考文献：
  名称：

  Synthesis and investigation of inhibition effect of fluorinated sulfonamide derivatives on carbonic anhydrase

  摘要：

  Series of perfluoroalkanesulfonamides 1, sodium salt of perfluoroalkanesulfonamides 2 and poly-fluoroalkanesulfonamides 3 derivatives were synthesized and characterized by H-1 NMR, C-13 NMR, F-19 NMR, IR and HRMS. Inhibition effects of these compounds on bovine carbonic anhydrase (bCA) and human carbonic anhydrase isoenzyme II (hCA) have been investigated. Comparing IC50 values of the synthesized molecules 1, 2 and 3, it has been found that compound 2b is a more potent inhibitor than acetazolamide on hCA. Moreover 2b does not present cellular toxicity on sheep red globules. (C) 2009 Elsevier Masson SAS. All rights reserved.

  DOI：

  10.1016/j.ejmech.2009.11.052

文献信息

• Synthesis and investigation of inhibition effect of fluorinated sulfonamide derivatives on carbonic anhydrase
  作者：Zohra Benfodda、Franck Guillen、Bernard Romestand、Abdelkader Dahmani、Hubert Blancou

  DOI：10.1016/j.ejmech.2009.11.052

  日期：2010.3

  Series of perfluoroalkanesulfonamides 1, sodium salt of perfluoroalkanesulfonamides 2 and poly-fluoroalkanesulfonamides 3 derivatives were synthesized and characterized by H-1 NMR, C-13 NMR, F-19 NMR, IR and HRMS. Inhibition effects of these compounds on bovine carbonic anhydrase (bCA) and human carbonic anhydrase isoenzyme II (hCA) have been investigated. Comparing IC50 values of the synthesized molecules 1, 2 and 3, it has been found that compound 2b is a more potent inhibitor than acetazolamide on hCA. Moreover 2b does not present cellular toxicity on sheep red globules. (C) 2009 Elsevier Masson SAS. All rights reserved.