4-((E)-(2-hydroxy-5-((E)-3-m-tolylacryloyl)phenyl)diazenyl)benzenesulfonamide

• 分子结构分类: 有机化合物 - 苯丙烷和聚酮 - 直链 1,3-二芳基丙烷
• 英文名称: 4-((E)-(2-hydroxy-5-((E)-3-m-tolylacryloyl)phenyl)diazenyl)benzenesulfonamide
• 化学式: C₂₂H₁₉N₃O₄S
• 分子量: 421.477
• InChiKey: SKWLDZSQCFUATH-DQUBXHDLSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.66
• 重原子数：
  30.0
• 可旋转键数：
  6.0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.05
• 拓扑面积：
  122.18
• 氢给体数：
  2.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  对羟基苯乙酮 在 盐酸 、 sodium hydroxide 、 sodium nitrite 作用下， 以 乙醇 、 水 为溶剂， 反应 5.83h， 生成 4-((E)-(2-hydroxy-5-((E)-3-m-tolylacryloyl)phenyl)diazenyl)benzenesulfonamide
  参考文献：
  名称：

  Synthesis and carbonic anhydrase inhibitory properties of novel chalcone substituted benzenesulfonamides

  摘要：

  Carbonic anhydrases (CAs, EC 4.2.1.1) are crucial metalloenzymes involved in many bioprocesses, through catalysis of the reversible hydration/dehydration process of CO2/HCO3-. The inhibition of human CA isoforms I and II with a new series of sulfonamide derivatives incorporating substituted chalcone moieties were studied in this study. All these newly synthesized sulfonamides demonstrated important inhibitory profiles to these CA isoforms with K(1)s in the range of 9.88 to 55.43 nM, making these compounds interesting leads, with potential applications in medicinal chemistry. (C) 2016 Published by Elsevier Ltd.

  DOI：

  10.1016/j.bmcl.2016.11.017

文献信息

• Synthesis and carbonic anhydrase inhibitory properties of novel chalcone substituted benzenesulfonamides
  作者：Tayfun Arslan、Emir Alper Türkoğlu、Murat Şentürk、Claudiu T. Supuran

  DOI：10.1016/j.bmcl.2016.11.017

  日期：2016.12

  Carbonic anhydrases (CAs, EC 4.2.1.1) are crucial metalloenzymes involved in many bioprocesses, through catalysis of the reversible hydration/dehydration process of CO2/HCO3-. The inhibition of human CA isoforms I and II with a new series of sulfonamide derivatives incorporating substituted chalcone moieties were studied in this study. All these newly synthesized sulfonamides demonstrated important inhibitory profiles to these CA isoforms with K(1)s in the range of 9.88 to 55.43 nM, making these compounds interesting leads, with potential applications in medicinal chemistry. (C) 2016 Published by Elsevier Ltd.