2-(oxalyl-amino)-7-(3-oxo-3H-benzo[d]isoxazol-2-ylmethyl)-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid | 330191-59-8

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并异恶唑
• 英文名称: 2-(oxalyl-amino)-7-(3-oxo-3H-benzo[d]isoxazol-2-ylmethyl)-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid
• 英文别名: 2-(oxaloamino)-7-[(3-oxo-1,2-benzoxazol-2-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyran-3-carboxylic acid
• CAS: 330191-59-8
• 化学式: C₁₈H₁₄N₂O₈S
• 分子量: 418.384
• InChiKey: OCLRVOBXWHRJTH-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2
• 重原子数：
  29
• 可旋转键数：
  5
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  171
• 氢给体数：
  3
• 氢受体数：
  9

文献信息

• MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases)
  申请人：NOVO NORDISK A/S

  公开号：EP1214325B1

  公开（公告）日：2005-11-09
• METHOD OF INHIBITING PROTEIN TYROSINE PHOSPHATASE 1B AND/OR T-CELL PROTEIN TYROSINE PHOSPHATASE AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48
  申请人：NOVO NORDISK A/S

  公开号：EP1214060A2

  公开（公告）日：2002-06-19
• US7019026B1
  申请人：——

  公开号：US7019026B1

  公开（公告）日：2006-03-28
• US7115624B1
  申请人：——

  公开号：US7115624B1

  公开（公告）日：2006-10-03
• [EN] METHOD OF INHIBITING PROTEIN TYROSINE PHOSPHATASE 1B AND/OR T-CELL PROTEIN TYROSINE PHOSPHATASE AND/OR OTHER PTPASES WITH AN ASP RESIDUE AT POSITION 48<br/>[FR] PROCEDE D'INHIBITION DE LA PROTEINE TYROSINE PHOSPHATASE 1B ET/OU DE LA PROTEINE TYROSINE PHOSPHATASE DE LYMPHOCYTES ET/OU D'AUTRES PTPASES POSSEDANT UN RESTE APS EN POSITION 48
  申请人：NOVO NORDISK AS

  公开号：WO2001017516A2

  公开（公告）日：2001-03-15

  The present invention provides a method of inhibiting a member of a family of Protein Tyrosine Phosphatases (PTPases, PTPs) such as PTP1B, TC-PTP, CD45, SHP-1, SHP-2, PTPα, PTPε, PTPν, PTPδ, PTPσ, PTPz, PTPβ, PTPD1, PTPD2, PTPH1, PTP-MEG1, PTP-LAR, and HePTP by exposing said Ptpase member by administration to a host or otherwise to at least one compound with certain structural, physical and spatial characteristics that allow for the interaction of said compound with specific residues of the active site of PTP1B and/or TC-PTP. These compounds are indicated in the management or treatment of a broad range of diseases such as autoimmune diseases, acute and chronic inflammation, osteoporosis, various forms of cancer and malignant diseases, and type I diabetes and type II diabetes, as well as in the isolation of PTPases and in elucidation or further elucidation of their biological function.