| CAS NO: | 394730-60-0 |
| 规格: | ≥98% |
| 包装 | 价格(元) |
| 5mg | 电议 |
| 10mg | 电议 |
| 25mg | 电议 |
| 50mg | 电议 |
| 100mg | 电议 |
| 250mg | 电议 |
| 500mg | 电议 |
| Molecular Weight (MW) | 519.68 |
|---|---|
| Formula | C27H45N5O5 |
| CAS No. | 394730-60-0 |
| Storage | -20℃ for 3 years in powder form |
| -80℃ for 2 years in solvent | |
| Solubility (In vitro) | DMSO:>100 mg/mL (192.4 mM) |
| Water: < 1 mg/mL | |
| Ethanol: >100 mg/mL (192.4 mM) | |
| Other info | Chemical Name: (1R,2S,5S)-N-(4-amino-1-cyclobutyl-3,4-dioxobutan-2-yl)-3-((S)-2-(3-(tert-butyl)ureido)-3,3-dimethylbutanoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide InChi Key: LHHCSNFAOIFYRV-DOVBMPENSA-N InChi Code: InChI=1S/C27H45N5O5/c1-25(2,3)20(30-24(37)31-26(4,5)6)23(36)32-13-15-17(27(15,7)8)18(32)22(35)29-16(19(33)21(28)34)12-14-10-9-11-14/h14-18,20H,9-13H2,1-8H3,(H2,28,34)(H,29,35)(H2,30,31,37)/t15-,16?,17-,18-,20+/m0/s1 SMILES Code: O=C([C@@H]1[C@@]2([H])C(C)(C)[C@@]2([H])CN1C([C@@H](NC(NC(C)(C)C)=O)C(C)(C)C)=O)NC(C(C(N)=O)=O)CC3CCC3 |
| Synonyms | EBP 520; EBP-520; EBP520; SCH-503034; SCH503034; SCH 503034; trade name: Victrelis. |
| SMILES Code | O=C(N1[C@@H]([C@@]2([H])C(C)([C@]2(C1)[H])C)C(NC(C(C(N)=O)=O)CC3CCC3)=O)[C@@H](NC(NC (C)(C)C)=O)C(C)(C)C |
| In Vitro | In vitro activity: Boceprevir (SCH 503034) has an average Ki value of 14 nM over a large number of runs in the HCV NS3 protease continuous assay. 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. Kinase Assay: Boceprevir 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. Cell Assay: J774A.1 cells (a murine macrophage cell line) are plated at 5×104 cells/well in a 96 multiwell plate for 24 hours in RPMI medium supplemented with 10% of fetal bovine serum (FBS). The cells are primed with Escherichia coli 0111:B4 LPS(1 μg/ml) for 4 hours and then ATP (5 mM) for 30 minutes to induce the NLRP3 inflammasome formation. The supernatants are collected and levels of IL-1β are measured with a mouse IL-1β ELISA kit. To test the inhibitory effects of 16673-34-0 on NLRP3 inflammasome activation, cells are co-treated with 16673-34-0 (400μM) or Glyburide (400μM) at the time of ATP for 30 minutes, and IL-1β levels are used as read-out. |
|---|---|
| In Vivo | Boceprevir is an HCV Protease Inhibitor for the Treatment of HCV infection. The pharmacokinetic profile of Boceprevir is evaluated in several animal species. Following oral administration, Boceprevir is moderately absorbed in rats (10 mg/kg), dogs (3 mg/kg), and monkeys (3 mg/kg). Absorption is relatively rapid in dogs but slower in mice (10 mg/kg), rats, and monkeys, as evidenced by mean absorption times (MAT) ranging from 0.5 to 1.4 h. The AUC is good in dogs and rats, moderate in mouse, and low in monkeys. The absolute oral bioavailability is modest in mouse, rats, and dogs (26-34%) but low in monkeys (4%). Boceprevir (100 mg/kg, orally) inhibit HCV NS3/4A protease activity in triple-transgenic mice. |
| Animal model | CD1 mice |
| Formulation & Dosage | Dissolved in DMSO; 100 mg/kg; i.p. and p.o. |
| References | Acc Chem Res. 2008 Jan;41(1):50-9; Antimicrob Agents Chemother. 2012 Nov; 56(11): 5728–5734. |
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