N-Cyclopropyl-4-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-D]pyridazin-6-YL}butanamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯并[3，4-d]哒嗪
• 英文名称: N-Cyclopropyl-4-{5,7-dimethyl-1-oxo-2-phenyl-1H,2H,6H-pyrrolo[3,4-D]pyridazin-6-YL}butanamide
• 英文别名: N-cyclopropyl-4-(5,7-dimethyl-4-oxo-3-phenylpyrrolo[3,4-d]pyridazin-6-yl)butanamide
• 化学式: C₂₁H₂₄N₄O₂
• mdl: MFCD14806529
• 分子量: 364.4
• InChiKey: JHFMWCFQRYMECM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  27
• 可旋转键数：
  6
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  66.7
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• Pyridazinones for the treatment of cancer
  申请人：Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V.

  公开号：EP2955182A1

  公开（公告）日：2015-12-16

  The present invention relates to novel substituted pyrrolo- and pyrazolopyridazinones, as well as pharmaceutical compositions containing at least one of these substituted pyrrolo- and pyrazolo- pyridazinones together with at least one pharmaceutically acceptable carrier, excipient and/or diluent. Said novel substituted pyrrolo- and pyrazolo- pyridazinones are binding to the prenyl binding pocket of PDEδ and therefore, are useful for the prophylaxis and treatment of cancer by inhibition of the binding of PDEδ to K-Ras and of Ras signaling in cells.

  本发明涉及新型取代吡咯并吡唑吡啶酮，以及含有至少一种这些新型取代吡咯并吡唑吡啶酮的药物组合物，该药物组合物还包括至少一种药用可接受的载体、赋形剂和/或稀释剂。所述新型取代吡咯并吡唑吡啶酮结合到PDEδ的藤黄素结合口袋，因此，通过抑制PDEδ与K-Ras的结合以及细胞中Ras信号传导的结合，对癌症的预防和治疗具有用处。
• [EN] PYRIDAZINONES FOR THE TREATMENT OF CANCER<br/>[FR] PYRIDAZINONES POUR LE TRAITEMENT DU CANCER
  申请人：MAX PLANCK GES ZUR FÖRDERUNG DER WISSENSCHAFTEN E V

  公开号：WO2015189433A1

  公开（公告）日：2015-12-17

  The present invention relates to novel substituted pyrrolo- and pyrazolo-pyridazinones, as well as pharmaceutical compositions containing at least one of these substituted pyrrolo- and pyrazolo-pyridazinones together with at least one pharmaceutically acceptable carrier, excipient and/or diluent. Said novel substituted pyrrolo- and pyrazolo-pyridazinones are binding to the prenyl binding pocket of PDE5 and therefore, are useful for the prophylaxis and treatment of cancer by inhibition of the binding of PDEδ to farnesylated Ras proteins and thereby, inhibition of oncogenic Ras signaling in cells.