Ethyl 5-(benzylsulfonylamino-1-methyl-uracilyl)acetate | 179524-46-0

• 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: Ethyl 5-(benzylsulfonylamino-1-methyl-uracilyl)acetate
• 英文别名: Tert-butyl 2-[5-(benzylsulfonylamino)-3-methyl-2,6-dioxopyrimidin-1-yl]acetate
• CAS: 179524-46-0
• 化学式: C₁₈H₂₃N₃O₆S
• 分子量: 409.463
• InChiKey: NGHGUVLYEORSDN-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1
• 重原子数：
  28
• 可旋转键数：
  8
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.39
• 拓扑面积：
  122
• 氢给体数：
  1
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  Ethyl 5-(benzylsulfonylamino-1-methyl-uracilyl)acetate 在 N-甲基吗啉 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 、 三氟乙酸 作用下， 以 二氯甲烷 、 乙腈 为溶剂， 生成 5-benzylsulfonylamino-1-methyl-3-uracilylacetyl-Ng-nitro-L-argininal ethyl cyclol
  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
• 作为产物：
  描述：

  t-Butyl (5-Nitro-1-methyl-uracilyl)acetate 在 palladium on activated charcoal N-甲基吗啉 、 氢气 作用下， 以 乙醇 为溶剂， 生成 Ethyl 5-(benzylsulfonylamino-1-methyl-uracilyl)acetate
  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.