4-(Oxaloamino)-3-thia-11-azatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxylic acid

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 环七噻吩
• 英文名称: 4-(Oxaloamino)-3-thia-11-azatricyclo[6.2.1.02,6]undeca-2(6),4-diene-5-carboxylic acid
• 化学式: C₁₂H₁₂N₂O₅S
• 分子量: 296.3
• InChiKey: OGWOOGGWTSYTQK-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -1.1
• 重原子数：
  20
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.42
• 拓扑面积：
  144
• 氢给体数：
  4
• 氢受体数：
  7

文献信息

• Method of inhibiting PTP 1B and /or T-cell PTP and/or other PTPases with an Asp residue at position 48
  申请人：——

  公开号：US20030064979A1

  公开（公告）日：2003-04-03

  This invention relates to oxalylamide inhibitors of Protein Tyrosine Phosphatase 1B (PTP1B) and/or T-cell Protein Tyrosine Phosphatase (TC-PTP) and/or Protein Tyrosine Phosphatases (PTPases) having an aspartic acid (Asp) in position 48 (PTP1B numbering, Chernoff et al, Proc Natl Acad Sci USA 87: 2735-2789 (1989)) and a method of inhibiting such PTPases by exposing the enzyme to inhibitor compounds of formula 1 1 This invention also relates to (I) the design and selection of inhibitors, which bind to the active site of PTP1B and/or TC-PTP and/or PTPases having an aspartic acid (Asp) in position 48 (II) the synthesis of said inhibitors, methods for their preparation and (III) to compositions comprising the inhibitor compounds.

  这项发明涉及草酸酰胺抑制剂蛋白酪氨酸磷酸酶1B（PTP1B）和/或T细胞蛋白酪氨酸磷酸酶（TC-PTP）和/或蛋白酪氨酸磷酸酶（PTPases），在第48位具有天冬氨酸（Asp）（PTP1B编号，Chernoff等人，Proc Natl Acad Sci USA87: 2735-2789（1989）），以及通过将酶暴露于化合物11的抑制剂来抑制这些PTPases的方法。这项发明还涉及（I）设计和选择结合PTP1B和/或TC-PTP和/或在第48位具有天冬氨酸（Asp）的PTPases活性位点的抑制剂，（II）合成所述抑制剂，其制备方法和（III）包含抑制剂化合物的组合物。
• METHOD OF INHIBITING PTP 1B AND/OR T-CELL PTP AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48
  申请人：Novo Nordisk A/S

  公开号：EP1404682A1

  公开（公告）日：2004-04-07
• [EN] METHOD OF INHIBITING PTP 1B AND/OR T-CELL PTP AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48<br/>[FR] PROCEDE PERMETTANT D'INHIBER PTP1B ET / OU PTP DE LYMPHOCYTE T ET / OU D'AUTRES PTPASES A RESTE ASP EN POSITION 48
  申请人：NOVO NORDISK AS

  公开号：WO2003002569A1

  公开（公告）日：2003-01-09

  This invention relates to oxalylamide inhibitors of Protein Tyrosine Phosphatase 1B (PTP1B) and/or T-cell Protein Tyrosine Phosphatase (TC-PTP) and/or Protein Tyrosine Phosphatases (PTPases) having an aspartic acid (Asp) in position 48 (PTP1B numbering, Chernoff et al., Proc. Natl. Acad. Sci. USA 87: 2735-2789 (1989)) and a method of inhibiting such PTPases by exposing the enzyme to inhibitor compounds of formula 1. This invention also relates to (I) the design and selection of inhibitors, which bind to the active site of PTP1B and/or TC-PTP and/or PTPases having an aspartic acid (Asp) in position 48 (II) the synthesis of said inhibitors, methods for their preparation and (III) to compositions comprising the inhibitor compounds.