2-吡啶羧酸,5-[[(苯磺酰)氨基]羰基]- | 138834-75-0

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 中文名称: 2-吡啶羧酸,5-[[(苯磺酰)氨基]羰基]-
• 英文名称: 5-[((phenylsulfonyl)amino)carbonyl]-pyridine-2-carboxylate
• 英文别名: 5-Benzenesulfonylaminocarbonyl-pyridine-2-carboxylic acid；5-(benzenesulfonylcarbamoyl)pyridine-2-carboxylic acid
• CAS: 138834-75-0
• 化学式: C₁₃H₁₀N₂O₅S
• 分子量: 306.299
• InChiKey: VXCNNKUETLEVAO-UHFFFAOYSA-N

物化性质

• 密度：
  1.492±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  1.1
• 重原子数：
  21
• 可旋转键数：
  4
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  122
• 氢给体数：
  2
• 氢受体数：
  6

反应信息

• 作为反应物：
  描述：

  2-吡啶羧酸,5-[[(苯磺酰)氨基]羰基]- 在 硫酸 作用下， 以 3-戊醇 、 乙酸乙酯 为溶剂， 生成 3-Pentyl 5-[((phenylsulfonyl)amino)carbonyl]-pyridine-2-carboxylate
  参考文献：
  名称：

  Acylsulfonamido- and sulfonamidopyridine-2-carboxylic acid esters and

  摘要：

  这项发明涉及配方I的酰磺胺基和磺胺基吡啶-2-羧酸酯及其吡啶N-氧化物，其中______________________________________A = R.sup.3和B = X--NR.sup.5 R.sup.6或B = R.sup.3和A = X--NR.sup.5 R.sup.6。______________________________________PAL这些化合物适用于治疗纤维化疾病。

  公开号：

  US05428046A1
• 作为产物：
  描述：

  2-甲基氢吡啶-2,5-二羧酸 在 4-二甲氨基吡啶 、 sodium hydroxide 、 N,N'-二环己基碳二亚胺 作用下， 以 二氯甲烷 为溶剂， 反应 19.5h， 生成 2-吡啶羧酸,5-[[(苯磺酰)氨基]羰基]-
  参考文献：
  名称：

  Novel inhibitors of prolyl 4-hydroxylase

  摘要：

  A series of 5-acyl sulfonamides derived from pyridine-2,5-dicarboxylic acid (15) has been prepared and several members of this series have been shown to be more potent, in vitro, as inhibitors of prolyl 4-hydroxylase than 15. Several chain-extended pyridinedicarboxylic acids have also been prepared and shown to be potent inhibitors of prolyl 4-hydroxylase. The structure-activity in both these series is discussed. The results indicate that the 5-carboxylic acid binding site, in the enzyme, can accept a carboxylic acid or an acyl sulfonamide equally well. This indicates a much greater degree of freedom in this distal carboxylic acid binding site than is predicted by the current theorical model of the active site.

  DOI：

  10.1021/jm00083a001

文献信息

• Acylsulfonamido-und Sulfonamidopyridin-2-carbonsäureester sowie ihre Pyridin-N-oxide, Verfahren zur ihrer Herstellung und ihre Verwendung als Arzneimittel
  申请人：HOECHST AKTIENGESELLSCHAFT

  公开号：EP0590520A1

  公开（公告）日：1994-04-06

  Die Erfindung betrifft Acylsulfonamido- und Sulfonamidopyridin-2-carbonsäureester und ihre Pyridin-N-oxide der allgemeinen Formel I worin A = R³ und B = X-NR⁵R⁶ oder B = R³ und A = X-NR⁵R⁶ und sind. Die Verbindungen sind geeignet als Arzneimittel gegen fibrotische Erkrankungen.

  本发明涉及通式 I 的酰基磺酰胺基和磺酰胺基吡啶-2-羧酸酯及其吡啶 N-氧化物 其中 A = R³ 和 B = X-NR⁵R⁶ 或 B = R³ 和 A = X-NR⁵R⁶ 且 是。 这些化合物适用于治疗纤维化疾病。
• US5428046A
  申请人：——

  公开号：US5428046A

  公开（公告）日：1995-06-27
• Novel inhibitors of prolyl 4-hydroxylase
  作者：Robert I. Dowell、Elizabeth M. Hadley

  DOI：10.1021/jm00083a001

  日期：1992.3

  A series of 5-acyl sulfonamides derived from pyridine-2,5-dicarboxylic acid (15) has been prepared and several members of this series have been shown to be more potent, in vitro, as inhibitors of prolyl 4-hydroxylase than 15. Several chain-extended pyridinedicarboxylic acids have also been prepared and shown to be potent inhibitors of prolyl 4-hydroxylase. The structure-activity in both these series is discussed. The results indicate that the 5-carboxylic acid binding site, in the enzyme, can accept a carboxylic acid or an acyl sulfonamide equally well. This indicates a much greater degree of freedom in this distal carboxylic acid binding site than is predicted by the current theorical model of the active site.
• Acylsulfonamido- and sulfonamidopyridine-2-carboxylic acid esters and
  申请人：Hoechst Aktiengesellschaft

  公开号：US05428046A1

  公开（公告）日：1995-06-27

  The invention relates to acylsulfonamido- and sulfonamidopyridine-2-carboxylic acid esters and their pyridine N-oxides of the formula I ##STR1## in which ______________________________________ A = R.sup.3 and B = X--NR.sup.5 R.sup.6 or B = R.sup.3 and A = X--NR.sup.5 R.sup.6. ______________________________________ PAL The compounds are suitable as medicaments against fibrotic diseases.

  这项发明涉及配方I的酰磺胺基和磺胺基吡啶-2-羧酸酯及其吡啶N-氧化物，其中______________________________________A = R.sup.3和B = X--NR.sup.5 R.sup.6或B = R.sup.3和A = X--NR.sup.5 R.sup.6。______________________________________PAL这些化合物适用于治疗纤维化疾病。