(3E,4aS,5S)-3-[(benzofuran-2-yl)methylene]-4,4a,5,6,7,8-hexahydro-5-hydroxy-1,4a-dimethylnaphthalen-2(3H)-one | 897019-74-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并呋喃
• 英文名称: (3E,4aS,5S)-3-[(benzofuran-2-yl)methylene]-4,4a,5,6,7,8-hexahydro-5-hydroxy-1,4a-dimethylnaphthalen-2(3H)-one
• 英文别名: (3E,4aS,5S)-3-[(benzofuran-2-yl)methylen]-4,4a,5,6,7,8-hexahydro-5-hydroxy-1,4a-dimethyl-naphthalen-2(3H)-one；(3E,4aS,5S)-3-(1-benzofuran-2-ylmethylidene)-5-hydroxy-1,4a-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-one
• CAS: 897019-74-8
• 化学式: C₂₁H₂₂O₃
• 分子量: 322.404
• InChiKey: DHNASKRGCBNMJR-RPXFAKHFSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  3.8
• 重原子数：
  24
• 可旋转键数：
  1
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.38
• 拓扑面积：
  50.4
• 氢给体数：
  1
• 氢受体数：
  3

文献信息

• DECALINE-DERIVED COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS
  申请人：Odermatt Alex

  公开号：US20090062401A1

  公开（公告）日：2009-03-05

  The present invention relates to compounds having a decaline scaffold, pharmaceutically acceptable salts of these compounds and pharmaceutical compositions containing at least one of these compounds together with pharmaceutically acceptable carrier, excipient and/or diluents. Said decaline-derived compounds can be used for prophylaxsis and/or treatment of diabetes mellitus type I, diabetes mellitus type II, tuberculosis and other infectious diseases, proliferative diseases, cancer, neurodegenerative diseases, obesity, cognitive dysfunctions and metabolic syndromes.

  本发明涉及具有十二环骨架的化合物，这些化合物的药学上可接受的盐以及含有这些化合物之一的药物组合物，该组合物还包含药学上可接受的载体、赋形剂和/或稀释剂。所述的十二环衍生化合物可用于预防和/或治疗糖尿病I型、糖尿病II型、结核病和其他传染病、增殖性疾病、癌症、神经退行性疾病、肥胖症、认知功能障碍和代谢综合征。
• DECALINE DERIVED COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS
  申请人：Universität Dortmund

  公开号：EP1841723A1

  公开（公告）日：2007-10-10
• [EN] DECALINE-DERIVED COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS<br/>[FR] COMPOSES DERIVES DE DECALINE EN TANT QU'AGENTS PHARMACEUTIQUEMENT ACTIFS
  申请人：UNIV DORTMUND

  公开号：WO2006069787A1

  公开（公告）日：2006-07-06

  [EN] The present invention relates to compounds having a decaline scaffold, pharmaceutically acceptable salts of these compounds and pharmaceutical compositions containing at least one of these compounds togehter with pharmaceutically acceptable carrier, excipient and/or diluents. Said decaline­derived compounds can be used for prophylaxsis and/or treatment of diabetes mellitus type I, diabetes mellitus type II, tuberculosis and other infectious diseases, proliferative diseases, cancer, neurodegenerative diseases, obesity, cognitive dysfunctions and metabolic syndromes.
  [FR] La présente invention concerne des composés ayant une structure de support de décaline, des sels acceptables d'un point de vue pharmaceutique de ces composés et des compositions pharmaceutiques contenant au moins un de ces composés ainsi qu'un véhicule, un excipient et/ou des diluants acceptables d'un point de vue pharmaceutique. Lesdits composés dérivés de décaline peuvent être utilisés pour la prophylaxie et/ou le traitement du diabète sucré de type I, du diabète sucré de type II, de la tuberculose et d'autres maladies infectieuses, des maladies prolifératives, du cancer, des maladies neurodégénératives, de l'obésité, des dysfonctions cognitives et des syndromes métaboliques.