N-[1-(3-{[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]oxy}phenyl)ethyl]-2-methyl-6-[4-methyl-3-(methyloxy)phenyl]pyrimidin-4-amine | 1404103-77-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯酚醚
• 英文名称: N-[1-(3-{[(1,3-dimethyl-1H-pyrazol-5-yl)methyl]oxy}phenyl)ethyl]-2-methyl-6-[4-methyl-3-(methyloxy)phenyl]pyrimidin-4-amine
• 英文别名: N-[1-[3-[(2,5-dimethylpyrazol-3-yl)methoxy]phenyl]ethyl]-6-(3-methoxy-4-methylphenyl)-2-methylpyrimidin-4-amine
• CAS: 1404103-77-0
• 化学式: C₂₇H₃₁N₅O₂
• 分子量: 457.575
• InChiKey: CUSDSBSOYWQQNM-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  5
• 重原子数：
  34
• 可旋转键数：
  8
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  74.1
• 氢给体数：
  1
• 氢受体数：
  6

文献信息

• [EN] PFKFB3 INHIBITORS AND THEIR USES<br/>[FR] INHIBITEURS DE PFKFB3 ET LEURS UTILISATIONS
  申请人：GERO DISCOVERY LLC

  公开号：WO2020080979A1

  公开（公告）日：2020-04-23

  This disclosure relates to new phthalimide and isoindolinone derivatives and other PFKFB3 inhibitors for use in the treatment of diseases. The invention further relates to pharmaceutical compositions containing such PFKFB3 inhibitors, methods of preparation thereof, methods for their use as therapeutic agents, and methods of preparation of a medicament for use in therapy, as well as kits and other inventiions comprising such PFKFB3 inhibitors. These PFKFB3 inhibitors are useful for the treatment and prophylaxis of cancer, neurodegenerative diseases, autoimmune diseases, inflammatory disorders, multiple sclerosis, metabolic diseases, inhibition of angiogenesis and other diseases and conditions, where the modulation of PFKFB3 and/or PFKFB4 has beneficial effect as well as neuroprotection.

  这项披露涉及新的邻苯二甲酰亚胺和异吲哚酮衍生物以及其他PFKFB3抑制剂，用于治疗疾病。该发明还涉及含有此类PFKFB3抑制剂的药物组合物，其制备方法，作为治疗剂的使用方法，以及用于治疗的药物的制备方法，以及包含此类PFKFB3抑制剂的工具包和其他发明。这些PFKFB3抑制剂对于治疗和预防癌症、神经退行性疾病、自身免疫疾病、炎症性疾病、多发性硬化症、代谢性疾病、抑制血管生成以及其他疾病和情况具有用途，在这些情况下，PFKFB3和/或PFKFB4的调节具有益处，以及神经保护作用。