| Description | Boceprevir (SCH 503034) is a novel, potent, highly selective, orally bioavailable HCV NS3 protease inhibitor with Ki of 14 nM in both enzyme assay and EC90 of 350 nM in cell-based replicon assay. |
| In vitro | 在HCV NS3蛋白酶连续测定中，Boceprevir (SCH 503034) 的平均抑制常数 (Ki) 为14 nM。在对HuH-7细胞进行的72小时双启动子亚基因组细胞基质复制子测定中，测得的EC50和EC90值分别为0.20 μM和0.35 μM。同时，Boceprevir还被发现对HNE的抑制作用非常弱（Ki=26 μM），展示了2200倍的选择性。 |
| In vivo | Boceprevir是一种用于治疗丙型肝炎病毒感染的HCV蛋白酶抑制剂。该化合物的药代动力学特性已在多种动物种类中进行了评估。在口服给药后，Boceprevir在大鼠（10 mg/kg）、狗（3 mg/kg）和猴（3 mg/kg）中呈现中等吸收率。狗的吸收相对较快，但在小鼠（10 mg/kg）、大鼠和猴中较慢，平均吸收时间（MAT）介于0.5至1.4小时之间。在狗和大鼠中，AUC表现良好；在小鼠中表现中等；而在猴中则较低。绝对口服生物利用度在小鼠、大鼠和狗中为中等（26-34%），但在猴中较低（4%）[1]。Boceprevir（口服100 mg/kg）能够抑制三重转基因小鼠中的HCV NS3/4A蛋白酶活性。 |
| Target activity | HCV NS3 protease:14nM(Ki） |
| Synonyms | SCH 503034, EBP 520, 波普瑞韦 |
| molecular weight | 519.68 |
| Molecular formula | C27H45N5O5 |
| CAS | 394730-60-0 |
| Storage | Powder: -20°C for 3 years | In solvent: -80°C for 1 year |
| Solubility | DMSO: 91 mg/mL (175.1 mM) |
| References | 1. Yao M, et al. Conditional Inducible Triple-Transgenic Mouse Model for Rapid Real-Time Detection of HCV NS3/4A ProteaseActivity. PLoS One. 2016 Mar 4;11(3):e20150894. 2. Coilly A, et al. Practical management of boceprevir and immunosuppressive therapy in liver transplant recipients with hepatitis C virus recurrence. Antimicrob Agents Chemother. 2012 Nov;56(11):5728-34. 3. Burton MJ, et al. Telaprevir and boceprevir in african americans with genotype 1 chronic hepatitis C: implications for patients and providers. South Med J. 2012 Aug;105(8):431-6. 4. Njoroge FG, et al. Challenges in modern drug discovery: a case study of boceprevir, an HCV protease inhibitor for the treatment of hepatitis C virus infection. Acc Chem Res. 2008 Jan;41(1):50-9. 5. Berenguer M, et al. New developments in the management of hepatitis C virus infection: focus on boceprevir. Biologics. 2012;6:249-56. 6. Fical L. Vývoj UHPLC-MS/MS metody pro analýzu vybraných antivirotik v HILIC a RP módu[J]. 2020 7. Fical L, Khalikova M, Kočová Vlčková H, et al. Determination of Antiviral Drugs and Their Metabolites Using Micro-Solid Phase Extraction and UHPLC-MS/MS in Reversed-Phase and Hydrophilic Interaction Chromatography Modes[J]. Molecules. 2021, 26(8): 2123. |
| Citations | 1. Bai Y, Ye F, Feng Y, et al. Structural basis for the inhibition of the SARS-CoV-2 main protease by the anti-HCV drug narlaprevir. Signal Transduction and Targeted Therapy. 2021, 6(1): 1-3 2. Fical L, Khalikova M, Kočová Vlčková H, et al. Determination of Antiviral Drugs and Their Metabolites Using Micro-Solid Phase Extraction and UHPLC-MS/MS in Reversed-Phase and Hydrophilic Interaction Chromatography Modes. Molecules. 2021, 26(8): 2123. |