Boceprevir

SKU: orb1302390

Description

Boceprevir is a potent and selective oral inhibitor of the HCV NS3 protease, exhibiting a Ki of 14 nM in enzymatic assays and an EC90 of 350 nM in cellular replicon systems. It has been utilized in both in vitro and in vivo research to study hepatitis C virus replication and protease inhibitor mechanisms.

Research Area

Immunology & Inflammation

Key Properties

• CAS Number: 394730-60-0
• MW: 519.7
• Purity: >98%
• Formula: C₂₇H₄₅N₅O₅
• SMILES: C(NC(CC1CCC1)C(C(N)=O)=O)(=O)[C@@H]2[C@@]3([C@@](C3(C)C)(CN2C([C@@H](NC(NC(C)(C)C)=O)C(C)(C)C)=O)[H])[H]
• Target: Protease
• Solubility: Soluble in DMSO (up to at least 15 mg/ml); or Ethanol (25 mg/ml)

Bioactivity

• Target IC50:
  HCV NS3 protease:14nM(Ki）
• In Vivo:
  Boceprevir is a chemical compound designed as an HCV Protease Inhibitor for treating Hepatitis C Virus Infection. Its pharmacokinetic properties have been assessed across different animal species. Following oral administration, Boceprevir exhibits moderate absorption in rats (10 mg/kg), dogs (3 mg/kg), and monkeys (3 mg/kg), with absorption being relatively quicker in dogs compared to slower rates in mice (10 mg/kg), rats, and monkeys, as indicated by mean absorption times (MAT) of 0.5 to 1.4 hours. The compound demonstrates effective area under the curve (AUC) values in dogs and rats, moderate values in mice, and lower values in monkeys. Its absolute oral bioavailability ranges from modest (26-34%) in mice, rats, and dogs, to low (4%) in monkeys. Additionally, Boceprevir, at a dosage of 100 mg/kg orally, effectively inhibits HCV NS3/4A protease activity in triple-transgenic mice.
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• In Vitro:
  In the HCV NS3 protease continuous assay, Boceprevir (SCH 503034) has a potency of 14 nM (Ki) average over a large number of runs. In the 72-h bicistronic subgenomic cell-based replicon assay in HuH-7 cells, the EC50 and EC90 values are determined to be 0.20 μM and 0.35 μM, respectively. Boceprevir is also found to be a very weak inhibitor of HNE (Ki=26 μM) representing a selectivity of 2200.
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Storage & Handling

• Storage: -20°C
• Expiration Date: 12 months from date of receipt.
• Disclaimer: For research use only

Alternative Names

SCH 503034

Compound Identifiers

PubChem CID

10324367