1-methyl-6-(1-methylethyl)-1,6-dihydro[1,2]thiazepino[5,4,3-cd]indole-3,8-dicarboxylic acid 2,2-dioxide | 856695-91-5

• 分子结构分类: 有机化合物 - 有机杂环化合物
• 英文名称: 1-methyl-6-(1-methylethyl)-1,6-dihydro[1,2]thiazepino[5,4,3-cd]indole-3,8-dicarboxylic acid 2,2-dioxide
• 英文别名: 9-methyl-10,10-dioxo-3-propan-2-yl-10λ6-thia-3,9-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7,11-pentaene-6,11-dicarboxylic acid
• CAS: 856695-91-5
• 化学式: C₁₆H₁₆N₂O₆S
• 分子量: 364.379
• InChiKey: PVYUWHQYIVLYOT-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.8
• 重原子数：
  25
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  125
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  6-ethyl-1-methyl-1,6-dihydro[1,2]thiazepino[5,4,3-cd]indole-8-carboxylic acid 2,2-dioxide 、 1-methyl-6-(1-methylethyl)-1,6-dihydro[1,2]thiazepino[5,4,3-cd]indole-3,8-dicarboxylic acid 2,2-dioxide 以to give the title compound (A4) as a pale yellow solid的产率得到1-methyl-6-(1-methylethyl)-1,6-dihydro[1,2]thiazepino[5,4,3-cd]indole-8-carboxylic acid 2,2-dioxide
  参考文献：
  名称：

  Tricycle indole hydroxyethlamine derivatives and their use in the treatment of alzheimer's disease

  摘要：

  本发明涉及一种新型的羟乙基胺化合物，具有Asp2（β-分泌酶，BACE1或Memapsin）抑制活性，其制备过程，包含它们的组合物和它们在治疗由高β-淀粉样蛋白水平或β-淀粉样蛋白沉积物所特征的疾病，尤其是阿尔茨海默病中的应用。

  公开号：

  US20070073060A1

文献信息

• [EN] TRICYCLIC INDOLE HYDROXYETHYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE<br/>[FR] DERIVES D'INDOLE HYDROXYETHYLAMINE TRICYCLIQUES ET LEUR UTILISATION DANS LE TRAITEMENT DE LA MALADIE D'ALZHEIMER
  申请人：GLAXO GROUP LTD

  公开号：WO2005058915A1

  公开（公告）日：2005-06-30

  The present invention relates to novel hydroxyethylamine compounds having Asp2 (β-secretase, BACE1 or Memapsin) inhibitory activity of formula (I), processes for their preparation, to compositions containing them and to their use in the treatment of diseases characterised by elevated β-amyloid levels or β-amyloid deposits, particularly Alzheimer's disease. Formula (I) wherein, inter alia, A-B represents -NR5-SO2- or -NR5-CO-; R5 represents hydrogen, C1-6 alkyl, C3-6 alkenyl, C3-6 alkynyl, C3-10 cycloalkyl, -C0-6 alkylaryl, -C0-6 alkyl-heteroaryl, -C0-6 alkyl-heterocyclyl, -C3-10 cycloalkyl-aryl or -C3-10 cycloalkyl-heteroaryl; -W- represents -CH2-, -(CH2)2-, -(CH2)3-, -C(H)=C(H)- or -CH2-C(H)=C(H)-; X-Y-Z represents -C=CR8-NR9-;

  该发明涉及具有Asp2（β-分泌酶，BACE1或Memapsin）抑制活性的新型羟乙基胺化合物的公式（I），其制备方法，含有它们的组合物以及它们在治疗由β-淀粉样蛋白水平或β-淀粉样蛋白沉积增高所特征化的疾病，特别是阿尔茨海默病中的用途。公式（I）中，A-B代表-NR5-SO2-或-NR5-CO-；R5代表氢，C1-6烷基，C3-6烯基，C3-6炔基，C3-10环烷基，-C0-6烷基芳基，-C0-6烷基-杂芳基，-C0-6烷基-杂环烷基，-C3-10环烷基-芳基或-C3-10环烷基-杂芳基；-W-代表-CH2-，-( )2-，-( )3-，-C(H)=C(H)-或- -C(H)=C(H)-；X-Y-Z代表-C=CR8-NR9-；
• TRICYCLIC INDOLE HYDROXYETHYLAMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF ALZHEIMER'S DISEASE
  申请人：GLAXO GROUP LIMITED

  公开号：EP1692143A1

  公开（公告）日：2006-08-23