(8aR,12aS,13aS)-12-ethylsulfonyl-3-methoxy-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二氮杂萘
• 英文名称: (8aR,12aS,13aS)-12-ethylsulfonyl-3-methoxy-5,6,8,8a,9,10,11,12a,13,13a-decahydroisoquinolino[2,1-g][1,6]naphthyridine
• 化学式: C₁₉H₂₈N₂O₃S
• 分子量: 364.5
• InChiKey: UMGBFFAJXFXOIL-MNEFBYGVSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.4
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.68
• 拓扑面积：
  58.2
• 氢给体数：
  0
• 氢受体数：
  5

文献信息

• Capture compounds, collections thereof and methods for analyzing the proteome and complex compositions
  申请人：Kõster Hubert

  公开号：US20100248264A1

  公开（公告）日：2010-09-30

  Capture compounds and collections thereof and methods using the compounds for the analysis of biomolecules are provided. In particular, collections, compounds and methods are provided for analyzing complex protein mixtures, such as the proteome. The compounds are multifunctional reagents that provide for the separation and isolation of complex protein mixtures. Automated systems for performing the methods also are provided.

  提供了捕获化合物及其集合以及使用这些化合物进行生物分子分析的方法。特别地，提供了用于分析复杂蛋白质混合物（如蛋白质组）的集合、化合物和方法。这些化合物是多功能试剂，可用于分离和分离复杂的蛋白质混合物。还提供了执行这些方法的自动化系统。
• PHARMACEUTICAL COMPOSITIONS AND METHODS FOR TREATING PSYCHOSIS
  申请人：UNIVERSITA' DEGLI STUDI DI CAGLIARI

  公开号：US20210393616A1

  公开（公告）日：2021-12-23

  The present invention refers to a novel medical use of the (8aR,12aS,13aS)-5,8,8a,9,10,11,12,12a,13,13a-decahydro-3-methoxy-12-(ethylsulphonyl)-6H-isoquino[2,1-g][1,6]naphthyridine compound [CAS-186002-54-0], known in the literature under code RS-79948-197, i.e., to its use in the treatment of psychoses. In particular, the present invention refers to the RS-79948-197 compound as an atypical antipsychotic for use in the treatment of psychoses, in particular of schizophrenia. Furthermore, the present invention refers to a pharmaceutical composition comprising the RS-79948-197 compound for use in the treatment of psychoses, in particular of schizophrenia.
• US8569481B2
  申请人：——

  公开号：US8569481B2

  公开（公告）日：2013-10-29
• US9034798B2
  申请人：——

  公开号：US9034798B2

  公开（公告）日：2015-05-19