2-(3-methyl-2,6-dioxo-5-((phenylmethyl)sulfonamido)-3,6-dihydropyrimidin-1(2H)-yl)acetic acid | 179524-01-7

• 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: 2-(3-methyl-2,6-dioxo-5-((phenylmethyl)sulfonamido)-3,6-dihydropyrimidin-1(2H)-yl)acetic acid
• 英文别名: 5-Benzylsulfonylamino-1-methyl-3-uracilylacetic Acid；2-[5-(Benzylsulfonylamino)-3-methyl-2,6-dioxopyrimidin-1-yl]acetic acid
• CAS: 179524-01-7
• 化学式: C₁₄H₁₅N₃O₆S
• 分子量: 353.356
• InChiKey: XOXCRXWNQTZKRU-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.3
• 重原子数：
  24
• 可旋转键数：
  6
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.21
• 拓扑面积：
  133
• 氢给体数：
  2
• 氢受体数：
  7

反应信息

• 作为反应物：
  描述：

  2-(3-methyl-2,6-dioxo-5-((phenylmethyl)sulfonamido)-3,6-dihydropyrimidin-1(2H)-yl)acetic acid 在 palladium on activated charcoal N-甲基吗啉 、 盐酸 、 氢气 、 1-羟基苯并三唑 、 1-(3-二甲基氨基丙基)-3-乙基碳二亚胺 作用下， 以 乙醇 、 水 、 溶剂黄146 、 乙腈 为溶剂， 生成 N-((S)-1-Carbamimidoyl-2-hydroxy-piperidin-3-yl)-2-(3-methyl-2,6-dioxo-5-phenylmethanesulfonylamino-3,6-dihydro-2H-pyrimidin-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
• 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 、 三氟乙酸 作用下， 以 乙醇 、 二氯甲烷 为溶剂， 生成 2-(3-methyl-2,6-dioxo-5-((phenylmethyl)sulfonamido)-3,6-dihydropyrimidin-1(2H)-yl)acetic acid
  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

• [EN] MASP-2 INHIBITORS AND METHODS OF USE<br/>[FR] INHIBITEURS DE MASP-2 ET PROCÉDÉS D'UTILISATION
  申请人：OMEROS CORP

  公开号：WO2021113686A1

  公开（公告）日：2021-06-10

  The present disclosure provides, inter alia, compounds with MASP-2 inhibitory activity, compositions of such compounds, and methods of making and using such compounds.

  本公开提供了具有MASP-2抑制活性的化合物，这些化合物的组合物以及制备和使用这些化合物的方法。
• Intermediates for preparing retroviral protease inhibiting compounds
  申请人：Abbott Laboratories

  公开号：EP0997459A1

  公开（公告）日：2000-05-03

  An intermediate of the formula: and an intermediate of the formula: or an acid addition salt thereof.

  公式的中间体： 和 式的中间体 或其酸加成盐。
• AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS
  申请人：CORVAS INTERNATIONAL, INC.

  公开号：EP0804464A1

  公开（公告）日：1997-11-05
• MASP-2 INHIBITORS AND METHODS OF USE
  申请人：Omeros Corporation

  公开号：US20210179612A1

  公开（公告）日：2021-06-17

  The present disclosure provides, inter alia, compounds with MASP-2 inhibitory activity, compositions of such compounds, and methods of making and using such compounds.
• US5354866A
  申请人：——

  公开号：US5354866A

  公开（公告）日：1994-10-11