4-[3-(1,2-dihydroacenaphthylen-5-yl)-6-oxo-1,6-dihydropyridazin-1-yl]benzene-1-sulfonamide

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 4-[3-(1,2-dihydroacenaphthylen-5-yl)-6-oxo-1,6-dihydropyridazin-1-yl]benzene-1-sulfonamide
• 英文别名: 4-[3-(1,2-Dihydroacenaphthylen-5-yl)-6-oxopyridazin-1-yl]benzenesulfonamide；4-[3-(1,2-dihydroacenaphthylen-5-yl)-6-oxopyridazin-1-yl]benzenesulfonamide
• 化学式: C₂₂H₁₇N₃O₃S
• 分子量: 403.461
• InChiKey: FROJFHCODSNRJI-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.1
• 重原子数：
  29
• 可旋转键数：
  3
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  101
• 氢给体数：
  1
• 氢受体数：
  5

反应信息

• 作为产物：
  描述：

  苊 在 aluminum (III) chloride 作用下， 以 乙醇 、 1,1,2,2-四氯乙烷 为溶剂， 反应 48.0h， 生成 4-[3-(1,2-dihydroacenaphthylen-5-yl)-6-oxo-1,6-dihydropyridazin-1-yl]benzene-1-sulfonamide
  参考文献：
  名称：

  Pyridazinone substituted benzenesulfonamides as potent carbonic anhydrase inhibitors

  摘要：

  A series of sulfonamide derivatives (2a-l) incorporating substituted pyridazinone moieties were investigated for the inhibition of two human cytosolic carbonic anhydrase isoforms, hCA I and hCA II. All these compounds, together with the clinically used sulfonamide acetazolamide were investigated as inhibitors of the physiologically relevant isozymes I and II. These sulfonamides showed very strong inhibition against all these isoforms with K-I's in the range of 0.98-8.5 nM which makes such molecules possible to be used as leads for discovery of novel effective CA inhibitors targeting other isoforms with medicinal chemistry applications. (C) 2016 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2015.12.016

文献信息

• Pyridazinone substituted benzenesulfonamides as potent carbonic anhydrase inhibitors
  作者：Raed Yaseen、Deniz Ekinci、Murat Senturk、Alhamzah Dh. Hameed、Syed Ovais、Pooja Rathore、Mohammed Samim、Kalim Javed、Claudiu T. Supuran

  DOI：10.1016/j.bmcl.2015.12.016

  日期：2016.2

  A series of sulfonamide derivatives (2a-l) incorporating substituted pyridazinone moieties were investigated for the inhibition of two human cytosolic carbonic anhydrase isoforms, hCA I and hCA II. All these compounds, together with the clinically used sulfonamide acetazolamide were investigated as inhibitors of the physiologically relevant isozymes I and II. These sulfonamides showed very strong inhibition against all these isoforms with K-I's in the range of 0.98-8.5 nM which makes such molecules possible to be used as leads for discovery of novel effective CA inhibitors targeting other isoforms with medicinal chemistry applications. (C) 2016 Elsevier Ltd. All rights reserved.