N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2-(2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2-(2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide
• 英文别名: 2-[3-(benzylsulfonylamino)-2-oxopyridin-1-yl]-N-[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]acetamide
• 化学式: C₂₀H₂₆N₆O₅S
• 分子量: 462.53
• InChiKey: OSTVSACFFDGYPT-FUKCDUGKSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0
• 重原子数：
  32
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.35
• 拓扑面积：
  177
• 氢给体数：
  5
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  [3-[(benzylsulfonyl)amino]-2-oxo-1,2-dihydropyridyl]acetyl-Ng-nitro-L-argininal ethyl cyclol 在 palladium on activated charcoal 盐酸 、 氢气 作用下， 以 乙醇 、 水 、 溶剂黄146 为溶剂， 生成 N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2-(2-oxo-3-phenylmethanesulfonylamino-2H-pyridin-1-yl)-acetamide
  参考文献：
  名称：

  Design and synthesis of a novel class of thrombin inhibitors incorporating heterocyclic dipeptide surrogates

  摘要：

  Several potent and selective inhibitors of thrombin incorporating novel heterocyclic peptide surrogates in the P-3-P-2 position of peptidyl argininals have been discovered. Illustrated in this article are three classes of heterocycles: pyridones, uracils, and pyrimidinones. The synthesis and biological activities of these unique aromatic heterocyclic derivatives are reported herein. (C) 1997 Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(97)00258-8

文献信息

• Design and synthesis of a novel class of thrombin inhibitors incorporating heterocyclic dipeptide surrogates
  作者：Susan Y. Tamura、J. Edward Semple、John E. Reiner、Erick A. Goldman、Terence K. Brunck、Marguerita S. Lim-Wilby、Stephen H. Carpenter、William E. Rote、Gerard L. Oldeshulte、Brigitte M. Richard、Ruth F. Nutt、William C. Ripka

  DOI：10.1016/s0960-894x(97)00258-8

  日期：1997.6

  Several potent and selective inhibitors of thrombin incorporating novel heterocyclic peptide surrogates in the P-3-P-2 position of peptidyl argininals have been discovered. Illustrated in this article are three classes of heterocycles: pyridones, uracils, and pyrimidinones. The synthesis and biological activities of these unique aromatic heterocyclic derivatives are reported herein. (C) 1997 Elsevier Science Ltd.