{(R)-1-[(S)-1-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-ylcarbamoyl)-ethylcarbamoyl]-2-hydroxy-ethyl}-carbamic acid isobutyl ester

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: {(R)-1-[(S)-1-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-ylcarbamoyl)-ethylcarbamoyl]-2-hydroxy-ethyl}-carbamic acid isobutyl ester
• 英文别名: {1-[1-(1-Carbamimidoyl-2-hydroxy-piperidin-3-ylcarbamoyl)-ethylcarbamoyl]-2-hydroxy-ethyl}-carbamic acid isobutyl ester; TFA；2-methylpropyl N-[(2R)-1-[[(2S)-1-[[(3S)-1-carbamimidoyl-2-hydroxypiperidin-3-yl]amino]-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]carbamate
• 化学式: C₁₇H₃₂N₆O₆
• 分子量: 416.478
• InChiKey: USKOLTMETOXNII-NUKBIBLZSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.7
• 重原子数：
  29
• 可旋转键数：
  10
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.76
• 拓扑面积：
  190
• 氢给体数：
  7
• 氢受体数：
  7

反应信息

• 作为产物：
  描述：

  isobutyl ((2R)-1-(((2S)-1-(((3S)-2-ethoxy-1-(N'-nitrocarbamimidoyl)piperidin-3-yl)amino)-1-oxopropan-2-yl)amino)-3-hydroxy-1-oxopropan-2-yl)carbamate 在 palladium on activated charcoal 盐酸 、 氢气 、 溶剂黄146 作用下， 以 乙醇 为溶剂， 反应 4.0h， 生成 {(R)-1-[(S)-1-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-ylcarbamoyl)-ethylcarbamoyl]-2-hydroxy-ethyl}-carbamic acid isobutyl ester
  参考文献：
  名称：

  Synthesis and biological activity of peptidyl aldehyde urokinase inhibitors

  摘要：

  Solid- and solution-phase synthesis of peptidomimetic inhibitors of urokinase-type plasminogen activator based on the sequence dSerAlaArg-al are described. The biological activities of these unique inhibitors are reported herein. Carbonate prodrugs were prepared and tested as potential drug delivery systems. (C) 2000 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0960-894x(00)00149-9

文献信息

• Synthesis and biological activity of peptidyl aldehyde urokinase inhibitors
  作者：Susan Y Tamura、Michael I Weinhouse、Christopher A Roberts、Erick A Goldman、Kevin Masukawa、Susanne M Anderson、Cheryl R Cohen、Annette E Bradbury、Vernon T Bernardino、Steven A Dixon、Michael G Ma、Thomas G Nolan、Terence K Brunck

  DOI：10.1016/s0960-894x(00)00149-9

  日期：2000.5

  Solid- and solution-phase synthesis of peptidomimetic inhibitors of urokinase-type plasminogen activator based on the sequence dSerAlaArg-al are described. The biological activities of these unique inhibitors are reported herein. Carbonate prodrugs were prepared and tested as potential drug delivery systems. (C) 2000 Published by Elsevier Science Ltd.