1-Oxa-8-thia-3-azaspiro[4.5]decane-2,4-dione | 501127-74-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 氮杂螺癸烷衍生物
• 英文名称: 1-Oxa-8-thia-3-azaspiro[4.5]decane-2,4-dione
• CAS: 501127-74-8
• 化学式: C₇H₉NO₃S
• 分子量: 187.22
• InChiKey: FUPPPVQJOVHZSX-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.5
• 重原子数：
  12
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.71
• 拓扑面积：
  80.7
• 氢给体数：
  1
• 氢受体数：
  4

反应信息

• 作为反应物：
  描述：

  6-bromomethyl-7-(2,2-dimethyl-propyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile 、 1-Oxa-8-thia-3-azaspiro[4.5]decane-2,4-dione 、 potassium carbonate 在 水 、 乙酸乙酯 、 Brine 、 magnesium sulfate 作用下， 以 N,N-二甲基甲酰胺 为溶剂， 反应 18.0h， 以to give 85 mg of disired 7-(2,2-dimethyl-propyl)-6-(2,4-dioxo-1-oxa-8-thia-3-aza-spiro[4.5]dec-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile (NVP-TAB516-NX) in 32% yield的产率得到7-(2,2-dimethyl-propyl)-6-(2,4-dioxo-1-oxa-8-thia-3-aza-spiro[4.5]dec-3-ylmethyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
  参考文献：
  名称：

  Pyrrolo pyrimidines as agents for the inhibition of cystein proteases

  摘要：

  该发明提供了I式化合物或其药学上可接受的盐或酯，其中符号的含义如定义所述，这些化合物是猫hepsin K的抑制剂，并在药学上用于治疗与猫hepsin K有关的疾病和医疗情况，例如各种紊乱，包括炎症，类风湿性关节炎，骨关节炎，骨质疏松和肿瘤。

  公开号：

  US07452886B2

文献信息

• Pyrrolo Pyrimidines as Agents for the Inhibition of Cystein Proteases
  申请人：Betschart Claudia

  公开号：US20090054467A1

  公开（公告）日：2009-02-26

  The invention provides compounds of Formula I or a pharmaceutically acceptable salt or ester thereof wherein the symbols have meaning as defined, which are inhibitors of cathepsin K and find use pharmaceutically for treatment of diseases and medical conditions in which cathepsin K is implicated, e.g. various disorders including inflammation, rheumatoid arthritis, osteoarthritis, osteoporosis and tumors.

  本发明提供了公式I的化合物，或其药理学上可接受的盐或酯，其中符号具有定义的含义，这些化合物是卡特普西林K的抑制剂，并在药学上用于治疗与卡特普西林K有关的疾病和医疗条件，例如各种疾病，包括炎症，类风湿性关节炎，骨关节炎，骨质疏松和肿瘤。
• PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES
  申请人：Novartis AG

  公开号：EP1423391A1

  公开（公告）日：2004-06-02
• US7452886B2
  申请人：——

  公开号：US7452886B2

  公开（公告）日：2008-11-18
• [EN] PYRROLO PYRIMIDINES AS AGENTS FOR THE INHIBITION OF CYSTEIN PROTEASES<br/>[FR] PYRROLOPYRIMIDES EN TANT QU'AGENTS D'INHIBITION DE CYSTEINE PROTEASES
  申请人：NOVARTIS AG

  公开号：WO2003020721A1

  公开（公告）日：2003-03-13

  The invention provides compounds of Formula I or a pharmaceutically acceptable salt or ester thereof wherein the symbols have meaning as defined, which are inhibitors of cathepsin K and find use pharmaceutically for treatment of diseases and medical conditions in which cathepsin K is implicated, e.g. various disorders including inflammation, rheumatoid arthritis, osteoarthritis, osteoporosis and tumors.
• Pyrrolo pyrimidines as agents for the inhibition of cystein proteases
  申请人：Betschart Claudia

  公开号：US20050054851A1

  公开（公告）日：2005-03-10

  The invention provides compounds of Formula I or a pharmaceutically acceptable salt or ester thereof wherein the symbols have meaning as defined, which are inhibitors of cathepsin K and find use pharmaceutically for treatment of diseases and medical conditions in which cathepsin K is implicated, e.g. various disorders including inflammation, rheumatoid arthritis, osteoarthritis, osteoporosis and tumors.

  本发明提供了I式化合物或其药学上可接受的盐或酯，其中符号的含义如定义所述，它们是猫hepsin K的抑制剂，并在药学上用于治疗猫hepsin K参与的疾病和医疗情况，例如各种疾病，包括炎症、类风湿性关节炎、骨关节炎、骨质疏松和肿瘤。