(4aR,6R,8aR)-2-amino-3-cyano-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(dimethylamino)ethylcarbamoyl]-8-methyl-4a,5,6,7,8a,9-hexahydro-4H-thieno[3,2-g]quinoline-6-carboxamide | 1399443-09-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 噻吩并吡啶类
• 英文名称: (4aR,6R,8aR)-2-amino-3-cyano-N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[2-(dimethylamino)ethylcarbamoyl]-8-methyl-4a,5,6,7,8a,9-hexahydro-4H-thieno[3,2-g]quinoline-6-carboxamide
• CAS: 1399443-09-4
• 化学式: C₂₈H₃₆N₆O₂S
• 分子量: 520.699
• InChiKey: KKWQQZRCWCGLQK-PBIIQAGSSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.9
• 重原子数：
  37
• 可旋转键数：
  5
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.54
• 拓扑面积：
  134
• 氢给体数：
  2
• 氢受体数：
  7

文献信息

• NOVEL OCTAHYDROTHIENOQUINOLINE DERIVATIVE, PHARMACEUTICAL COMPOSITION COMPRISING DERIVATIVE, AND USE OF THESE
  申请人：Nishimura Toshihiro

  公开号：US20140243311A1

  公开（公告）日：2014-08-28

  The present invention provides compounds represented by the general formula (I): or pharmaceutical acceptable salts thereof, wherein R 1 is cyano or the like; R 2 and R 3 are hydrogen or the like; R 4 is C 1-6 alkyl or the like; R 5 is C 1-6 alkyl, halo-C 1-6 alkyl, cycloalkyl, cycloalkyl-C 1-6 alkyl, aralkyl or the like; R 6 and R 7 are each hydrogen, C 1-6 alkyl, halo-C 1-6 alkyl, cycloalkyl, C 1-6 alkoxy-C 1-6 alkyl, R 12 R 13 N—C 1-6 alkyl or the like, which exhibit potent dopamine D 2 receptor stimulating activities. The present invention also provides pharmaceutical compositions containing said compound, and uses thereof.

  本发明提供了通式（I）所代表的化合物或其药物可接受的盐，其中R1是氰基或类似物；R2和R3是氢或类似物；R4是C1-6烷基或类似物；R5是C1-6烷基，卤代C1-6烷基，环烷基，环烷基-C1-6烷基，芳基烷基或类似物；R6和R7分别是氢，C1-6烷基，卤代C1-6烷基，环烷基，C1-6烷氧基-C1-6烷基，R12R13N-C1-6烷基或类似物，具有强效的多巴胺D2受体刺激活性。本发明还提供了含有该化合物的药物组合物及其用途。
• US9138434B2
  申请人：——

  公开号：US9138434B2

  公开（公告）日：2015-09-22