3-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-phenylpyrazole-4-carboxamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: 3-[4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]phenyl]-1-phenylpyrazole-4-carboxamide
• 化学式: C₂₃H₂₄N₄O
• 分子量: 372.5
• InChiKey: QIDGJZBBOWWZFS-PZJWPPBQSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3
• 重原子数：
  28
• 可旋转键数：
  7
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.3
• 拓扑面积：
  72.9
• 氢给体数：
  2
• 氢受体数：
  3

文献信息

• CYCLOPROPANEAMINE COMPOUND
  申请人：Tomita Naoki

  公开号：US20140228405A1

  公开（公告）日：2014-08-14

  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); Q 1 , Q 2 , Q 3 and Q 4 are each a hydrogen atom or a substituent; Q 1 and Q 2 , and Q 3 and Q 4 , 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); Y 1 , Y 2 and Y 3 are each H, a hydrocarbon group or heterocyclic group optionally having substituent(s); X and Y 1 , and Y 1 and Y 2 , are each optionally bonded to each other to form a ring optionally having substituent(s); and Z 1 , Z 2 and Z 3 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，可用作预防或治疗癌症、中枢神经系统疾病等药物。本发明涉及一种化合物，其表示为式（I）：其中A是一个烃基或杂环基，可选地具有取代基；R是H、烃基或杂环基，可选地具有取代基；A和R可选地彼此连接以形成可选地具有取代基的环；Q1、Q2、Q3和Q4是每个氢原子或取代基；Q1和Q2以及Q3和Q4可选地彼此连接以形成可选地具有取代基的环；X是H、一个无环烃基或饱和环基，可选地具有取代基；Y1、Y2和Y3是每个H、烃基或杂环基，可选地具有取代基；X和Y1以及Y1和Y2可选地彼此连接以形成可选地具有取代基的环；Z1、Z2和Z3是每个H或取代基，或其盐。
• US9278931B2
  申请人：——

  公开号：US9278931B2

  公开（公告）日：2016-03-08