生物活性
Aprepitant (MK-0869)被归类为NK1拮抗剂。已经显示，阿瑞匹坦通过阻止P物质降落在大脑神经元受体上，从而抑制细胞毒性化疗药物引起的急性呕吐和延迟呕吐。还显示出它能增加5-HT3受体拮抗剂恩丹西酮和皮质类固醇地塞米松的活性，它们也可用于预防化学疗法引起的恶心和呕吐。
靶点信息
| Neurokinin-1 receptor (Cell-free assay) | | | | |
| 0.1 nM | | | | |
化学数据
| 目录号 | A10083 |
| 作用机制 | Antagonist (拮抗剂) |
| M. Wt | 534.4 |
| Formula | C23H21F7N4O3 |
| 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. | 170729-80-3 |
| Synonyms | MK0869, MK-869, L-754030, Emend |
| SMILES | C[C@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NC(=O)NN3)C4=CC=C(C=C4)F |
溶解度
| In vitro (25°C) | DMSO | 96 mg/mL (179.63 mM) |
| Water | Insoluble |
| Ethanol | 14 mg/mL (26.19 mM) |
| In vivo | 5% DMSO+corn oil | 12 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 | 18.71 mL | 93.56 mL | 187.13 mL |
| 0.5 mM | 3.74 mL | 18.71 mL | 37.43 mL |
| 1 mM | 1.87 mL | 9.36 mL | 18.71 mL |
| 5 mM | 0.37 mL | 1.87 mL | 3.74 mL |
*The above data is based on the productmolecular weight 534.4 . 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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