| 1219489-80-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• CAS: 1219489-80-1
• 化学式: C₂₈H₃₃N₃O₄
• 分子量: 475.588
• InChiKey: WELPOZAVBSPRPQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  4.55
• 重原子数：
  35.0
• 可旋转键数：
  6.0
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.46
• 拓扑面积：
  82.97
• 氢给体数：
  1.0
• 氢受体数：
  6.0

文献信息

• NOVEL PYROLINONE DERIVATIVE AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME
  申请人：Kai Hiroyuki

  公开号：US20110183939A1

  公开（公告）日：2011-07-28

  The present invention provides a novel P2X 3 and/or P2X 2 / 3 receptor antagonist. A compound represented by the formula (I); wherein Z 1 is optionally protected hydroxy, etc.; Z 2 is —C(═O)—, etc.; Z 3a and Z 3b are taken together ═O or ═S; t is an integer of 0 to 4; R 4a and R 4b are each independently, hydrogen or substituted or unsubstituted lower alkyl, etc.; m and n are each independently an integer of 0 to 2; k is an integer of 0 or 1; Ring A is an aromatic carbocyclic ring or a heterocyclic ring, etc.; B is aromatic carbocyclic ring-diyl or heterocyclic ring-diyl, etc.; R 1a and R 1b are each independently halogen, hydroxy, substituted or unsubstituted lower alkyl, etc.; R 2 is substituted or unsubstituted alkyl, etc.; R 3 is substituted or unsubstituted alkyl, substituted or unsubstituted aryl or a substituted or unsubstituted heterocyclic group, etc.; or its pharmaceutically acceptable salt, or a solvate thereof is provided.

  本发明提供了一种新型的P2X3和/或P2X2/3受体拮抗剂。化合物由公式（I）表示；其中，Z1是可选的保护羟基等；Z2是-C（═O）-等；Z3a和Z3b一起取═O或═S；t为0至4的整数；R4a和R4b各自独立地为氢或取代或未取代的低碳基等；m和n各自独立地为0至2的整数；k为0或1的整数；环A是芳香环烃环或杂环环，等；B是芳香环烃环二基或杂环环二基等；R1a和R1b各自独立地为卤素、羟基、取代或未取代的低碳基等；R2为取代或未取代的烷基等；R3为取代或未取代的烷基、取代或未取代的芳基或取代或未取代的杂环基等；或其药学上可接受的盐或其溶剂。