4-(benzoimidazol-1-ylmethyl-amino)-N-(4,6-dimethyl-pyrimidin-2-yl)-benzenesulfonamide | 68542-36-9

• 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-(benzoimidazol-1-ylmethyl-amino)-N-(4,6-dimethyl-pyrimidin-2-yl)-benzenesulfonamide
• 英文别名: 4-(benzimidazol-1-ylmethylamino)-N-(4,6-dimethylpyrimidin-2-yl)benzenesulfonamide
• CAS: 68542-36-9
• 化学式: C₂₀H₂₀N₆O₂S
• 分子量: 408.484
• InChiKey: UGMSIVIPVMHJGH-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：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.15
• 拓扑面积：
  110
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• FLUOROQUINOLONE DERIVATIVES OR SULFONAMIDE MOIETY-CONTAINING COMPOUNDS AS INHIBITORS OF TYROSYL-DNAPHOSPHODIESTERASE (TDP1)
  申请人：Pommier Yves

  公开号：US20120172371A1

  公开（公告）日：2012-07-05

  A method for treating cancer in a subject, comprising administering to a subject having cancer a therapeutically effective amount of (i) a fluoroquinolone derivative that inhibits tyrosyl-DNA-phosphodiesterase 1 (Tdp1) activity or (ii) a sulfonamide moiety-containing compound that inhibits tyrosyl-DNA-phosphodiesterase 1 (Tdp1) activity, thereby treating the cancer in the subject. In certain embodiments, the fluoroquinolone derivative or sulfonamide moiety-containing compound is co-administered with a topoisomerase I (TopI) inhibitor.