9-methyl-3-thia-9-aza-bicyclo[3.3.1]-nonan-7-one

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 哌啶类
• 英文名称: 9-methyl-3-thia-9-aza-bicyclo[3.3.1]-nonan-7-one
• 英文别名: 9-methyl-3-thia-9-aza-bicyclo[3.3.1]nonane-7-one；(1R,5S)-9-methyl-3-thia-9-azabicyclo[3.3.1]nonan-7-one
• 化学式: C₈H₁₃NOS
• 分子量: 171.263
• InChiKey: NYRXKNVUTSUPFL-KNVOCYPGSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.3
• 重原子数：
  11
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.88
• 拓扑面积：
  45.6
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  9-methyl-3-thia-9-aza-bicyclo[3.3.1]-nonan-7-one 在 sodium hydride 、 lithium diisopropyl amide 作用下， 以 四氢呋喃 为溶剂， 生成 (rac)-(1R,5S)-9-methyl-7-trifluoromethanesulfonyloxy-3-thia-9-aza-bicyclo[3.3.1]non-6-ene-6-carboxylic acid methyl ester
  参考文献：
  名称：

  New classes of potent and bioavailable human renin inhibitors

  摘要：

  New classes of de novo designed renin inhibitors are reported. Some of these compounds display excellent in vitro and in vivo activities toward human renin in a TGR model. The synthesis of these new types of mono- and bicyclic scaffolds are reported, and properties of selected compounds discussed. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.bmcl.2009.09.104

文献信息

• [EN] DIAZABICYCLONONENE AND TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS<br/>[FR] DERIVES DE DIAZABICYCLONONENE ET DE TETRAHYDROPYRIDINE UTILISES COMME INHIBITEURS DE LA RENINE
  申请人：ACTELION PHARMACEUTICALS LTD

  公开号：WO2005040173A1

  公开（公告）日：2005-05-06

  The invention relates to novel bicyclic derivatives and related compounds and their use as active ingredients in the preparation of pharmaceutical compositions. The invention also concerns related aspects including processes for the preparation of the compounds, pharmaceutical compositions containing one or more of those compounds and especially their use as inhibitors of renin.

  本发明涉及新型的双环衍生物及相关化合物，以及它们作为活性成分在制备药物组合物中的应用。本发明还涉及相关方面，包括制备这些化合物的方法、含有一种或多种这些化合物的药物组合物，尤其是它们作为肾素抑制剂的应用。