N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-2,3-dihydro-1H-indazole-5-carboxamide

• 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: N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]-2,3-dihydro-1H-indazole-5-carboxamide
• 化学式: C₂₁H₂₄N₄O
• 分子量: 348.4
• InChiKey: URSYYZLXVBAVMW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.6
• 重原子数：
  26
• 可旋转键数：
  6
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  65.2
• 氢给体数：
  4
• 氢受体数：
  4

文献信息

• CYCLOPROPANEAMINE COMPOUND
  申请人：Takeda Pharmaceutical Company Limited

  公开号：EP2743256A1

  公开（公告）日：2014-06-18

  The present invention provides a compound having a lysine-specific demethylase 1 inhibitory action, and useful as a medicament such as a prophylactic or therapeutic agent for cancer, and central nervous system diseases, and the like. The present invention relates to a compound represented by the formula wherein A is a hydrocarbon group or heterocyclic group optionally having substituent(s); R is H, a hydrocarbon group or heterocyclic group optionally having substituent(s); A and R are optionally bonded to each other to form a ring optionally having substituent(s); Q1, Q2, Q3 and Q4 are each a hydrogen atom or a substituent; Q1 and Q2, and Q3 and Q4, are each optionally bonded to each other to form a ring optionally having substituent(s); X is H, an acyclic hydrocarbon group or saturated cyclic group optionally having substituent(s); Y1, Y2 and Y3 are each H, a hydrocarbon group or heterocyclic group optionally having substituent(s); X and Y1, and Y1 and Y2, are each optionally bonded to each other to form a ring optionally having substituent(s); and Z1, Z2 and Z3 are each H or a substituent, or a salt thereof.

  本发明提供了一种具有赖氨酸特异性去甲基化酶 1 抑制作用的化合物，可用作癌症、中枢神经系统疾病等的预防或治疗药物。本发明涉及一种由式表示的化合物 其中 A 是可选具有取代基的烃基或杂环基；R 是 H、可选具有取代基的烃基或杂环基；A 和 R 相互可选键合以形成可选具有取代基的环；Q1、Q2、Q3 和 Q4 各为氢原子或取代基；Q1 和 Q2 以及 Q3 和 Q4 相互可选键合以形成可选具有取代基的环；X是H、无环烃基或可选具有取代基的饱和环基；Y1、Y2和Y3各自是H、可选具有取代基的烃基或杂环基；X和Y1以及Y1和Y2各自可选地相互键合以形成可选具有取代基的环；以及Z1、Z2和Z3各自是H或取代基，或其盐。