4-Nitro-N-(3-trifluoromethyl-benzyl)-benzenesulfonamide | 869470-91-7

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 4-Nitro-N-(3-trifluoromethyl-benzyl)-benzenesulfonamide
• 英文别名: 4-nitro-N-{[3-(trifluoromethyl)phenyl]methyl}benzene-1-sulfonamide；4-nitro-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
• CAS: 869470-91-7
• 化学式: C₁₄H₁₁F₃N₂O₄S
• 分子量: 360.314
• InChiKey: XQTUJGXZFJNCQG-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  24
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  100
• 氢给体数：
  1
• 氢受体数：
  8

反应信息

• 作为反应物：
  描述：

  4-Nitro-N-(3-trifluoromethyl-benzyl)-benzenesulfonamide 在 tin(ll) chloride 作用下， 以 四氢呋喃 、 乙醇 为溶剂， 反应 3.0h， 生成 2-{[4-(3-Trifluoromethyl-benzylsulfamoyl)-phenylamino]-methylene}-malonic acid diethyl ester
  参考文献：
  名称：

  Sulfamoyl-4-oxoquinoline-3-carboxamides: Novel potentiators of defective ΔF508-cystic fibrosis transmembrane conductance regulator chloride channel gating

  摘要：

  The synthesis of a small collection of sulfamoyl-4-oxoquinoline-3-carboxamides is described for use as correctors of defective gating of the Delta F508-cystic fibrosis transmembrane conductance regulator (CFTR) chloride channel. Several compounds with submicromolar potency were obtained. N-Ethyl 6-(ethylphenylsulfamoyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide (7b) was found to be the most effective sulfonamide corrector of defective Delta F508-CFTR gating. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.10.050
• 作为产物：
  描述：

  3-(三氟甲基)苯甲胺 、 对硝基苯磺酰氯 在 TEA 作用下， 反应 1.0h， 生成 4-Nitro-N-(3-trifluoromethyl-benzyl)-benzenesulfonamide
  参考文献：
  名称：

  Sulfamoyl-4-oxoquinoline-3-carboxamides: Novel potentiators of defective ΔF508-cystic fibrosis transmembrane conductance regulator chloride channel gating

  摘要：

  The synthesis of a small collection of sulfamoyl-4-oxoquinoline-3-carboxamides is described for use as correctors of defective gating of the Delta F508-cystic fibrosis transmembrane conductance regulator (CFTR) chloride channel. Several compounds with submicromolar potency were obtained. N-Ethyl 6-(ethylphenylsulfamoyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide (7b) was found to be the most effective sulfonamide corrector of defective Delta F508-CFTR gating. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2005.10.050

文献信息

• Sulfamoyl-4-oxoquinoline-3-carboxamides: Novel potentiators of defective ΔF508-cystic fibrosis transmembrane conductance regulator chloride channel gating
  作者：Yat Fan Suen、Lori Robins、Baoxue Yang、A.S. Verkman、Michael H. Nantz、Mark J. Kurth

  DOI：10.1016/j.bmcl.2005.10.050

  日期：2006.2

  The synthesis of a small collection of sulfamoyl-4-oxoquinoline-3-carboxamides is described for use as correctors of defective gating of the Delta F508-cystic fibrosis transmembrane conductance regulator (CFTR) chloride channel. Several compounds with submicromolar potency were obtained. N-Ethyl 6-(ethylphenylsulfamoyl)-4-oxo-1,4-dihydroquinoline-3-carboxamide (7b) was found to be the most effective sulfonamide corrector of defective Delta F508-CFTR gating. (c) 2005 Elsevier Ltd. All rights reserved.