N1-benzyl-N4-(4-isopropylbenzyl)-N4-((tetrahydrofuran-2-yl)methyl)benzene-1,4-disulfonamide

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 异戊烯醇脂质
• 英文名称: N1-benzyl-N4-(4-isopropylbenzyl)-N4-((tetrahydrofuran-2-yl)methyl)benzene-1,4-disulfonamide
• 英文别名: 1-N-benzyl-4-N-(oxolan-2-ylmethyl)-4-N-[(4-propan-2-ylphenyl)methyl]benzene-1,4-disulfonamide
• 化学式: C₂₈H₃₄N₂O₅S₂
• 分子量: 542.7
• InChiKey: ZPVMWYWUKMYPNZ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.6
• 重原子数：
  37
• 可旋转键数：
  11
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.36
• 拓扑面积：
  110
• 氢给体数：
  1
• 氢受体数：
  7

文献信息

• BENZENE DISULFONAMIDE FOR THE TREATMENT OF CANCER
  申请人：Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V.

  公开号：EP3351544A1

  公开（公告）日：2018-07-25

  The present invention relates to novel substituted benzene disulfonamides of formula (I), as well as pharmaceutical compositions containing at least one of these substituted benzene disulfonamides together with at least one pharmaceutically acceptable carrier, excipient and/or diluent. Said substituted benzene disulfonamides are binding to the prenyl binding pocket of PDE6δ and therefore, are useful for the prophylaxis and treatment of cancer by inhibition of the binding of PDE6δ to farnesylated Ras proteins and thereby, inhibition of oncogenic Ras signaling in cells.

  本发明涉及式（I）的新型取代苯二磺酰胺类化合物，以及含有至少一种此类取代苯二磺酰胺类化合物和至少一种药学上可接受的载体、赋形剂和/或稀释剂的药物组合物。所述取代苯二磺酰胺与 PDE6δ 的芳基结合口袋结合，因此，通过抑制 PDE6δ 与法尼基化的 Ras 蛋白结合，从而抑制细胞中致癌的 Ras 信号传导，可用于预防和治疗癌症。
• Benzene disulfonamide for the treatment of cancer
  申请人：Max-Planck-Gesellschaft zur Forderung der Wissenschaften e.V.

  公开号：US10913710B2

  公开（公告）日：2021-02-09

  The present invention relates to novel substituted benzene disulfonamides, as well as pharmaceutical compositions containing at least one of these substituted benzene disulfonamides together with at least one pharmaceutically acceptable carrier, excipient and/or diluent. Said substituted benzene disulfonamides are binding to the prenyl binding pocket of PDE6δ and therefore, are useful for the prophylaxis and treatment of cancer by inhibition of the binding of PDE6δ to farnesylated Ras proteins and thereby, inhibition of oncogenic Ras signaling in cells.

  本发明涉及新型取代苯二磺酰胺类化合物，以及含有至少一种此类取代苯二磺酰胺类化合物和至少一种药学上可接受的载体、赋形剂和/或稀释剂的药物组合物。所述取代苯二磺酰胺类药物与 PDE6δ 的芳基结合口袋结合，因此，通过抑制 PDE6δ 与法尼基化 Ras 蛋白的结合，从而抑制细胞中致癌的 Ras 信号传导，可用于预防和治疗癌症。