1-{N-[2-(amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-(1-phenylcyclobutyl)methylamino-pyrazinone | 252271-03-7

• 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: 1-{N-[2-(amidinoaminooxy)ethyl]amino}carbonylmethyl-6-methyl-3-(1-phenylcyclobutyl)methylamino-pyrazinone
• 英文别名: N-[2-(diaminomethylideneamino)oxyethyl]-2-[6-methyl-2-oxo-3-[(1-phenylcyclobutyl)methylamino]pyrazin-1-yl]acetamide
• CAS: 252271-03-7
• 化学式: C₂₁H₂₉N₇O₃
• 分子量: 427.506
• InChiKey: PCOVDCZJEYDJEQ-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  0.7
• 重原子数：
  31
• 可旋转键数：
  10
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.43
• 拓扑面积：
  147
• 氢给体数：
  4
• 氢受体数：
  5

文献信息

• Thromboresistant materials incorporating pyrazinone protease inhibitors
  申请人：——

  公开号：US20010021713A1

  公开（公告）日：2001-09-13

  Thromboresistant materials are described which incorporate pyrazinone compounds of the Formula I: 1 wherein X is O, NR 11 or CH=N, R 3 -R 11 , R a , R b , R c , W, m, and n are 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.

  本发明提供了一种含有Formula I的吡唑酮化合物的抗血栓材料：1其中X为O、NR11或CH= N，R3-R11、Ra、Rb、Rc、W、m和n在规范中设置，以及其水合物、溶剂化合物或药学上可接受的盐。本发明的化合物是蛋白酶的强效抑制剂，特别是胰蛋白酶样丝氨酸蛋白酶，如凝血酶、血纤维蛋白溶解酶和Xa因子。其中某些化合物通过直接、选择性地抑制凝血酶表现出抗血栓活性。本发明还描述了用于抑制血小板损失、抑制血小板聚集、抑制纤维蛋白形成、抑制血栓形成和抑制栓子形成的组合物。本发明的化合物的其他用途是作为抗凝剂嵌入或物理链接到用于血液收集、血液循环和血液储存的设备中，如导管、血液透析机、血液采集注射器和管道、血管支架等。此外，这些化合物可以被检测标记并用于体内血栓的成像。
• PYRAZINONE PROTEASE INHIBITORS
  申请人：Johnson & Johnson Pharmaceutical Research & Development, L.L.C.

  公开号：EP1086122B1

  公开（公告）日：2005-08-24
• Pyrazinone protease inhibitors
  申请人：Ortho-McNeil Pharmaceutical, Inc.

  公开号：EP1589029B1

  公开（公告）日：2010-03-17
• US6204263B1
  申请人：——

  公开号：US6204263B1

  公开（公告）日：2001-03-20
• US6514978B2
  申请人：——

  公开号：US6514978B2

  公开（公告）日：2003-02-04