| 货号 (SKU) | 包装规格 | 是否现货 | 价格 | 数量 |
|---|---|---|---|---|
| B646498-5mg |
5mg |
期货  |
| |
| B646498-10mg |
10mg |
期货 |
|
| 英文别名 | 2-Azetidinecarboxylic acid, 3-(3-((aminoiminomethyl)amino)propyl)-1-((4-(((1,1-dimethylethyl)amino)carbonyl)-1-piperazinyl)carbonyl)-4-oxo-, (2S,3R)- | BDBM50120368 | (3S,4R)-1-(4-tert-Butylcarbamoyl-piperazine-1-carbonyl)-3-(3-guanidino-propyl)-4-oxo-aze |
|---|---|
| 规格或纯度 | ≥98% |
| 英文名称 | BMS-262084 |
| 生化机理 | BMS-262084 是一种强效、选择性和不可逆的 XIa 因子抑制剂，对人 XIa 因子的 IC 50 为 2.8 nM。BMS-262084 还能抑制人胰蛋白酶（IC 50 =5 nM）。BMS-262084 还具有抗血栓作用。 |
| 储存温度 | -20°C储存 |
| 运输条件 | 超低温冰袋运输 |
| 作用类型 | 抑制剂 |
| 产品介绍 |
BMS-262084 is a potent, selective and irreversible inhibitor of factor XIa , with an IC 50 of 2.8 nM against human factor XIa. BMS-262084 also inhibits human tryptase ( IC 50 =5 nM). BMS-262084 exhibits antithrombotic effects In Vitro BMS-262084 shows more than 70-fold selectivity for human factor XIa (IC 50 =2.8 nM) over tryptase, trypsin, urokinase, plasma kallikrein, plasmin, yhrombin (factor IIa) and Factor IXa (IC 50 =0.005, 0.05, 0.542, 0.55, 1.7,10.5, and 17.4 μM, respectively). BMS-262084 (1-100 μM) doubles the activated thromboplastin time in human and rat plasma at 0.14 and 2.2 μM, respectively. MCE has not independently confirmed the accuracy of these methods. They are for reference only. In Vivo BMS-262084 (2-12 mg/kg + 2-12 mg/kg/h; i.v.) reduces carotid artery thrombus weight and improves both vessel patency and integrated flow in rats . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Male Sprague Dawley rats (310-390 g) were induced venous thrombosis by FeCl 2 Dosage: 2 mg/kg + 2 mg/kg/h, 6 mg/kg + 6 mg/kg/h, 12 mg/kg + 12 mg/kg/h Administration: I.v. 10 min before FeCl 2 application Result: Reduced carotid artery thrombus weight by 73% at the dose of 12 mg/kg + 12 mg/kg/h. Improved both vessel patency and integrated flow. Form:Solid IC50& Target:IC50: 2.8 nM (factor XIa), 5 nM (tryptase) |
| 纯度 | ≥98% |
| 作用机制 | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | 参考文献 |
|---|
| 分子类型 | 小分子 |
|---|---|
| IIUPAC Name | (2S,3R)-1-[4-(tert-butylcarbamoyl)piperazine-1-carbonyl]-3-[3-(diaminomethylideneamino)propyl]-4-oxoazetidine-2-carboxylic acid |
| INCHI | 1S/C18H31N7O5/c1-18(2,3)22-16(29)23-7-9-24(10-8-23)17(30)25-12(14(27)28)11(13(25)26)5-4-6-21-15(19)20/h11-12H,4-10H2,1-3H3,(H,22,29)(H,27,28)(H4,19,20,21)/t11-,12+/m1/s1 |
| InChi Key | MFTQITSPGQORDA-NEPJUHHUSA-N |
| Smiles | CC(C)(C)NC(=O)N1CCN(CC1)C(=O)N2C(C(C2=O)CCCN=C(N)N)C(=O)O |
| Isomeric SMILES | CC(C)(C)NC(=O)N1CCN(CC1)C(=O)N2[C@@H]([C@H](C2=O)CCCN=C(N)N)C(=O)O |
| 关联CAS | 253174-92-4 |
| MeSH Entry Terms | BMS-262084;BMS262084 |
| 分子量 | 425.48 |
| Reaxy-Rn | 40020925 |
| Reaxys-RN link address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=40020925&ln= |
| 溶解性 | DMSO : 50 mg/mL (117.51 mM; ultrasonic and warming and heat to 60°C) |
|---|---|
| 分子量 | 425.500 g/mol |
| XLogP3 | -1.900 |
| 氢键供体数Hydrogen Bond Donor Count | 4 |
| 氢键受体数Hydrogen Bond Acceptor Count | 6 |
| 可旋转键计数Rotatable Bond Count | 6 |
| 精确质量Exact Mass | 425.239 Da |
| 单同位素质量Monoisotopic Mass | 425.239 Da |
| 拓扑极表面积Topological Polar Surface Area | 175.000 Ų |
| 重原子数Heavy Atom Count | 30 |
| 形式电荷Formal Charge | 0 |
| 复杂度Complexity | 721.000 |
| 同位素原子数Isotope Atom Count | 0 |
| 定义的原子立体中心计数Defined Atom Stereocenter Count | 2 |
| 未定义的原子立体中心计数Undefined Atom Stereocenter Count | 0 |
| 定义的键立体中心计数Defined Bond Stereocenter Count | 0 |
| 未定义的键立体中心计数Undefined Bond Stereocenter Count | 0 |
| 所有立体化学键的总数The total count of all stereochemical bonds | 0 |
| 共价键合单元计数Covalently-Bonded Unit Count | 1 |
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