N-苯甲酰基-异亮氨酰-谷氨酰-甘氨酰-精氨酰4-硝基苯胺盐酸盐 | 60457-00-3

• 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
• 中文名称: N-苯甲酰基-异亮氨酰-谷氨酰-甘氨酰-精氨酰4-硝基苯胺盐酸盐
• 英文名称: n-benzoyl-L-isoleucyl-L-glutamyl-L-glycyl-L-arginyl-p-nitroanilide.HCl
• 英文别名: (4S)-4-[[(2S,3S)-2-benzamido-3-methylpentanoyl]amino]-5-[[2-[[(2S)-5-(diaminomethylideneamino)-1-(4-nitroanilino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid;hydron;chloride
• CAS: 60457-00-3
• 化学式: C₃₂H₄₃N₉O₉*ClH
• 分子量: 734.209
• InChiKey: KQJTXYQXRHCWKW-PJSBSAQXSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.01
• 重原子数：
  51
• 可旋转键数：
  19
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.41
• 拓扑面积：
  293
• 氢给体数：
  9
• 氢受体数：
  11

安全信息

• 安全说明：
  S22,S26,S36
• 危险类别码：
  R20/22,R36/37/38,R41

文献信息

• Benzodiazepine derivatives
  申请人：AJINOMOTO CO. INC

  公开号：US20030186969A1

  公开（公告）日：2003-10-02

  The present invention provides benzodiazepine derivatives of the following formula, analogs thereof and pharmaceutically acceptable salts thereof. The compounds of the present invention have an excellent effect of inhibiting activated blood-coagulation factor X. These compounds are usable as agents for treating various diseases concerned with the activated blood-coagulation factor X. 1

  本发明提供了以下结构的苯二氮卓类衍生物及其类似物和药学上可接受的盐。本发明的化合物具有优异的抑制活化血凝因子X的效果。这些化合物可用作治疗与活化血凝因子X有关的各种疾病的药剂。
• Aminopyridinyl-, aminoguanidinyl- and Alkoxyguanidinyl-substituted phenyl acetamides as protease inhibitors
  申请人：3-Dimensional Pharmaceuticals

  公开号：US20020061872A1

  公开（公告）日：2002-05-23

  Phenyl acetamide compounds are described, including compounds of Formula I: 1 or a solvate, hydrate or pharmaceutically acceptable salt thereof; wherein R 3 -R 6 , R 11 , B, Y and W are set forth in the specification. The compounds of the invention are potent inhibitors of proteases, especially trypsin-like serine proteases, such as thrombin and factor Xa. 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.

  苯乙酰胺化合物的描述，包括式I的化合物： 或其溶剂化物、水合物或药学上可接受的盐；其中R 3 -R 6 ，R 11 ，B，Y和W在规范中列出。本发明的化合物是蛋白酶的强效抑制剂，特别是类似胰蛋白酶的丝氨酸蛋白酶，如凝血酶和Xa因子。描述了用于抑制血小板丢失、抑制血小板聚集物形成、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制造用于血液采集、血液循环和血液储存的设备中的材料，如导管、血液透析机、血液采集注射器和管、血管和支架。此外，这些化合物可以被检测标记并用于体内血栓的成像。
• Benzamidine derivatives
  申请人：AJINOMOTO CO., INC

  公开号：US20010056123A1

  公开（公告）日：2001-12-27

  Benzamidine derivatives of the following formula, analogs thereof and pharmaceutically acceptable salts thereof are provided. These compounds have an effect of inhibiting activated blood-coagulation factor X, and they are useful as agents for preventing or treating various diseases caused by thrombi or emboli. 1

  以下公式的苯甲酰胺衍生物、类似物及其药用盐已提供。这些化合物具有抑制活化血凝因子X的作用，可用作预防或治疗由血栓或栓塞引起的各种疾病的药物。
• Cyclic oxyguanidine protease inhibitors
  申请人：3-Dimensional Pharmaceuticals, Inc.

  公开号：US20020022615A1

  公开（公告）日：2002-02-21

  Cyclic oxyguanidine compounds, including compounds of Formulae I and II: 1 wherein R 1 , R 3 -R 6 , R 21 -R 26 , L, Y, Z, and A are set forth in the specification, as well as hydrates, solvates or pharmaceutically acceptable salts thereof, that inhibit proteolytic enzymes such as thrombin are described. Also described are methods for preparing the compounds of Formulae I and II. The novel compounds of the present 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, or are intermediates useful for forming compounds having antithrombotic activity. The invention includes a composition for inhibiting loss of blood platelets, inhibiting formation of blood platelet aggregates, inhibiting formation of fibrin, inhibiting thrombus formation, and inhibiting embolus formation in a mammal, comprising a compound of the invention in a pharmaceutically acceptable carrier. 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.

  描述了环氧胍啉化合物，包括式I和II中的化合物：其中规范中列出了R1、R3-R6、R21-R26、L、Y、Z和A，以及其水合物、溶剂合物或药学上可接受的盐，这些化合物抑制蛋白酶酶，如凝血酶。还描述了制备式I和II化合物的方法。本发明的新化合物是蛋白酶的有效抑制剂，尤其是胰蛋白酶样丝氨酸蛋白酶，如胰蛋白酶、凝血酶、纤溶酶和Xa因子。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，或者是用于形成具有抗血栓活性的化合物的中间体。该发明包括一种用于抑制哺乳动物体内血小板丧失、抑制血小板集合体形成、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，包括本发明的化合物在药学上可接受的载体中。本发明的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设备的材料中，如导管、血液透析机、血液收集器和管、血管和支架。
• 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。