6-(4-methoxy-benzyl)-5-((2-naphthalen-2-yl-ethylamino)methyl)-2-(oxalyl-amino)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid

• 分子结构分类: 有机化合物 - 苯类化合物 - 萘
• 英文名称: 6-(4-methoxy-benzyl)-5-((2-naphthalen-2-yl-ethylamino)methyl)-2-(oxalyl-amino)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid
• 英文别名: 6-[(4-methoxyphenyl)methyl]-5-[(2-naphthalen-2-ylethylamino)methyl]-2-(oxaloamino)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxylic acid
• 化学式: C₃₁H₃₁N₃O₆S
• 分子量: 573.67
• InChiKey: XLKVMANPRKDPSJ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.8
• 重原子数：
  41
• 可旋转键数：
  11
• 环数：
  5.0
• sp3杂化的碳原子比例：
  0.26
• 拓扑面积：
  156
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  2-(tert-butoxyoxalyl-amino)-5-((tert-butoxycarbonyl-(2-naphthalen-2-yl-ethyl)-amino)methyl)-6-(4-methoxy-benzyl)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid tert-butyl ester 在 三氟乙酸 作用下， 以 二氯甲烷 为溶剂， 以13 mg (90%)的产率得到6-(4-methoxy-benzyl)-5-((2-naphthalen-2-yl-ethylamino)methyl)-2-(oxalyl-amino)-4,5,6,7-tetrahydro-thieno[2,3-c]pyridine-3-carboxylic acid
  参考文献：
  名称：

  Modulators of protein tyrosine phosphateses (PTPases)

  摘要：

  揭示了新颖的化合物、新颖的组合物、它们的使用方法以及它们的制备方法，其中Formula 1的这些化合物是对蛋白酪氨酸磷酸酶（PTPase's）包括PTP1B、T细胞PTP等具有药理学作用的抑制剂，其中n、m、X、R1、R2、R3、R4、R5、R6和R7的定义在描述中更详细地说明。这些化合物在治疗I型糖尿病、II型糖尿病、糖耐量受损、胰岛素抵抗、肥胖和其他疾病方面具有用途。

  公开号：

  US06410556B1

文献信息

• Method of inhibiting protein tyrosine phosphatase 1B and/or T-cell protein tyrosine phosphatase 4 and/or other PTPases with an Asp residue at position 48
  申请人：Novo Nordisk A/S

  公开号：US07115624B1

  公开（公告）日：2006-10-03

  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, PTPμ, PTPδ, PTPσ, PTPζ, 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.

  本发明提供了一种抑制蛋白酪氨酸磷酸酶（PTPases，PTPs）家族成员（如PTP1B、TC-PTP、CD45、SHP-1、SHP-2、PTPα、PTPε、PTPμ、PTPδ、PTPσ、PTPζ、PTPβ、PTPD1、PTPD2、PTPH1、PTP-MEG1、PTP-LAR和HePTP）的方法，通过将所述Ptpase成员暴露于至少一种具有特定结构、物理和空间特征的化合物的管理或治疗中，使得该化合物与PTP1B和/或TC-PTP的活性位点的特定残基发生相互作用。这些化合物在管理或治疗广泛范围的疾病，如自身免疫疾病、急性和慢性炎症、骨质疏松症、各种癌症和恶性疾病、I型糖尿病和II型糖尿病，以及在分离PTPases和阐明或进一步阐明其生物功能方面起作用。
• Modulators of protein tyrosine phosphateses (PTPases)
  申请人：Novo Nordisk A/S

  公开号：US06410556B1

  公开（公告）日：2002-06-25

  Disclosed are novel compounds, novel compositions, methods of their use, and methods of their manufacture, where such compounds of Formula 1 are pharmacologically useful inhibitors of Protein Tyrosine Phosphatases (PTPase's) including PTP1B, T cell PTP, wherein n, m, X, R1, R2, R3, R4, R5, R6, and R7 are defined more fully in the description. The compounds are useful in the treatment of type I diabetes, type II diabetes, impaired glucose tolerance, insulin resistance, obesity, and other diseases.

  揭示了新颖的化合物、新颖的组合物、它们的使用方法以及它们的制备方法，其中Formula 1的这些化合物是对蛋白酪氨酸磷酸酶（PTPase's）包括PTP1B、T细胞PTP等具有药理学作用的抑制剂，其中n、m、X、R1、R2、R3、R4、R5、R6和R7的定义在描述中更详细地说明。这些化合物在治疗I型糖尿病、II型糖尿病、糖耐量受损、胰岛素抵抗、肥胖和其他疾病方面具有用途。
• US6410556B1
  申请人：——

  公开号：US6410556B1

  公开（公告）日：2002-06-25
• US7115624B1
  申请人：——

  公开号：US7115624B1

  公开（公告）日：2006-10-03
• [EN] MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPases)<br/>[FR] MODULATEURS DE PROTEINE TYROSINE PHOSPHATASE (PTPases)
  申请人：NOVO NORDISK AS

  公开号：WO2001019830A1

  公开（公告）日：2001-03-22

  The present invention provides novel compounds, novel compositions, methods of their use, and methods of their manufacture, where such compounds of Formula (1) are pharmacologically useful inhibitors of Protein Tyrosine Phosphatases (PTPase's) including PTP1B, T cell PTP, wherein n, m, X, R1, R2, R3, R4, R5, R6, and R7 are defined more fully in the description. The compounds are useful in the treatment of type I diabetes, type II diabetes, impaired glucose tolerance, insulin resistance, obesity, and other diseases.