生物活性
BIBR 953 (Dabigatran,Pradaxa)是一种高度选择性，可逆且有效的凝血酶抑制剂，可作为前药达比加群酯口服。它在血栓形成的动物模型中显示出抗血栓形成的功效，起效迅速，可预测的药效学反应。
靶点信息
| Thrombin (Cell-free assay) | | | | |
| 9.3 nM | | | | |
化学数据
| 目录号 | A10138 |
| 作用机制 | Inhibitor (抑制剂) |
| M. Wt | 471.5 |
| Formula | C25H25N7O3 |
| Purity | >99% |
| Storage | Store lyophilized at -20ºC, keep desiccated.
In lyophilized form, the chemical is stable for36 months.
In solution, store at -20ºC and use within3 monthsto prevent loss of potency. Aliquot to avoid multiple freeze/thaw cycles. |
| CAS No. | 211914-51-1 |
| Synonyms | BIBR-953, BIBR953 |
| SMILES | CN1C2=C(C=C(C=C2)C(=O)N(CCC(=O)O)C3=CC=CC=N3)N=C1CNC4=CC=C(C=C4)C(=N)N |
溶解度
| In vitro (25°C) | DMSO | <1 mg/mL |
| Water | 29 mg/mL (61.5 mM) |
| Ethanol | 0.01 mg/mL (0.02 mM) |
| In vivo | 10% Trifluoroacetic acid water solution | 31 mg/mL |
*<1 mg/ml means slightly soluble or insoluble.
*Please note that Adooq tests the solubility of all compounds in-house, and the actual solubility may differ slightly from published values. This is normal and is due to slight batch-to-batch variations. |
储备液配制
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
| 0.1 mM | 21.21 mL | 106.04 mL | 212.09 mL |
| 0.5 mM | 4.24 mL | 21.21 mL | 42.42 mL |
| 1 mM | 2.12 mL | 10.6 mL | 21.21 mL |
| 5 mM | 0.42 mL | 2.12 mL | 4.24 mL |
*The above data is based on the productmolecular weight 471.5 . Batch specific molecular weights may vary from batch to batch due to solvent of hydration, which will affect the solvent volumes required to prepare stock solutions.
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