2,4,6-Trimethyl-1-(4-sulfamoyl-benzyl)-pyridinium; perchlorate

• 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: 2,4,6-Trimethyl-1-(4-sulfamoyl-benzyl)-pyridinium; perchlorate
• 英文别名: 4-[(2,4,6-trimethylpyridin-1-ium-1-yl)methyl]benzenesulfonamide
• 化学式: C15H19N2O2S+
• 分子量: 291.4
• InChiKey: AYRPMTMUTOODTE-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.3
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.27
• 拓扑面积：
  72.4
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Sulfonamide Derivatives Having Carbonic Anhydrase Inhibiting Activity and their Use as Therapeutic and Diagnostic Agents
  申请人：Supuran Claudiu T.

  公开号：US20080138291A1

  公开（公告）日：2008-06-12

  The present invention discloses sulfonamide A-(Q)n—Ar—SChNHR which are CA IX-selective inhibitors, which selectively bind to the enzyme under hypoxic conditions and are able to reverse the tumor acidification mediated by the enzyme. These compounds are useful in anticancer therapies based on tumor-associated CA isozyme inhibition as well as for hypoxic tumor imaging.