N-(2-carbamimidoyl-[1,2]oxazinan-5-yl)-2-[6-methyl-2-oxo-3-(2-p-tolyl-ethylamino)-2H-pyrazin-1-yl]-acetamide

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 二嗪类
• 英文名称: N-(2-carbamimidoyl-[1,2]oxazinan-5-yl)-2-[6-methyl-2-oxo-3-(2-p-tolyl-ethylamino)-2H-pyrazin-1-yl]-acetamide
• 英文别名: N-(2-carbamimidoyloxazinan-5-yl)-2-[6-methyl-3-[2-(4-methylphenyl)ethylamino]-2-oxopyrazin-1-yl]acetamide
• 化学式: C₂₁H₂₉N₇O₃
• 分子量: 427.506
• InChiKey: RNDNIWHKVOJFKW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.6
• 重原子数：
  31
• 可旋转键数：
  8
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  136
• 氢给体数：
  4
• 氢受体数：
  5

文献信息

• Cyclic oxyguanidine pyrazinones as protease inhibitors
  申请人：3-Dimensional Pharmaceuticals, Inc.

  公开号：US20020052357A1

  公开（公告）日：2002-05-02

  Cyclic oxyguanidine pyrazinone compounds are described, including compounds of the Formula I: 1 wherein R 3 , R 4 , R 5 , W, and A are as set forth in the specification, as well as hydrates, solvates or pharmaceutically acceptable salts thereof. The compounds of the invention are potent inhibitors of proteases, especially trypsin-like serine proteases, such as chymotrypsin, trypsin, thrombin, plasmin and factor Xa. Certain of the compounds exhibit antithrombotic activity via direct, selective inhibition of thrombin. Compositions for inhibiting loss of blood platelets, inhibiting formation of blood platelet aggregates, inhibiting formation of fibrin, inhibiting thrombus formation, and inhibiting embolus formation are described. Other uses of compounds of the invention are as anticoagulants either embedded in or physically linked to materials used in the manufacture of devices used in blood collection, blood circulation, and blood storage, such as catheters, blood dialysis machines, blood collection syringes and tubes, blood lines and stents. Additionally, the compounds can be detectably labeled and employed for in vivo imaging of thrombi.

  本文描述了环状氧胍吡唑酮化合物，包括公式I中的化合物：其中R3、R4、R5、W和A如规范中所述，以及其水合物、溶剂化物或药学上可接受的盐。本发明的化合物是蛋白酶的有效抑制剂，特别是胰蛋白酶样丝氨酸蛋白酶，如凝血酶、胰蛋白酶、血栓素、纤溶酶和Xa因子。其中某些化合物通过直接选择性抑制凝血酶表现出抗血栓活性。本文还描述了用于抑制血小板丢失、抑制血小板聚集形成、抑制纤维蛋白形成、抑制血栓形成和抑制栓塞形成的组合物。本发明化合物的其他用途是作为抗凝剂嵌入或物理连接到用于血液收集、血液循环和血液储存的器械制造材料中，例如导管、血液透析机、血液采集注射器和管道、血管支架。此外，这些化合物可以被检测标记并用于体内血栓的成像。
• CYCLIC OXYGUANIDINE PYRAZINONES AS PROTEASE INHIBITORS
  申请人：3-DIMENSIONAL PHARMACEUTICALS, INC.

  公开号：EP1303510A2

  公开（公告）日：2003-04-23
• US6476016B2
  申请人：——

  公开号：US6476016B2

  公开（公告）日：2002-11-05
• US7030110B2
  申请人：——

  公开号：US7030110B2

  公开（公告）日：2006-04-18
• [EN] CYCLIC OXYGUANIDINE PYRAZINONES AS PROTEASE INHIBITORS<br/>[FR] PYRAZINONES OXYGUANIDINES CYCLIQUES COMME INHIBITEURS DE PROTEASE
  申请人：DIMENSIONAL PHARM INC

  公开号：WO2002006248A2

  公开（公告）日：2002-01-24

  Cyclic oxyguanidine pyrazinone compounds are described, including compounds of the Formula (I): wherein R?3, R4, R5¿, W, and A are as set forth in the specidification, as well as hydrates, solvates or pharmaceutically acceptable salts thereof. The compounds of the invention are potent inhibitors of protease, especially trypsin-like serine proteases, such as chymotripsin, trypsin, thrombin, plasmin and factor Xa. Certain of the compounds exhibit antithrombotic activity via direct, selective inhibition of trombin. Compositions for inhibiting loss of blood platelas, inhibiting formation of blood platelet aggregates, inhibiting formation of fibrin, inhibiting thrombus formation, and inhibiting embolus formation are described. Other uses of compounds of the invention are as anticoagulants either embedded in or physically linked to materials used in the manufacture of devices used in blood collection, blood circulation, and blood storage, such as catheters, blood dialysis machines, blood collection syringes and tubes, blood lines and stents. Additionally, the compounds can be detectably labeled and employed labeled and employed fot in vivo imaging of thrombi.