| Field | Specification |
|---|---|
| Alternative names | VX-222 |
| CAS no. | |
| Applications | |
| Molecular weight | |
| Molecular formula | C25H35NO4S |
| Purity | |
| SMILES | |
| Form | Solid |
| Storage | |
| Shipping | |
| Catalog no. (Mfr.) | |
| Main SKU |
Compound Overview
Lomibuvir, also known as VX-222, is a selective, non-nucleoside polymerase inhibitor that targets thumb pocket 2 of the HCV NS5B polymerase (RdRp), with a Kd of 17 nM. It inhibits the 1b/Con1 HCV subgenomic replicon with an EC50 of 5.2 nM and preferentially blocks elongative RNA synthesis rather than de novo-initiated RNA synthesis[1]. It is supplied as a white to off-white solid (C25H35NO4S, MW 445.61) at 99.71% purity.
Physical & Chemical Properties
| CAS Number | 1026785-55-6 |
|---|---|
| Molecular Formula | C25H35NO4S |
| Molecular Weight | 445.61 g/mol |
| Purity | 99.71% |
| Appearance | Solid |
| Color | White to off-white |
| SMILES | O=C(C1=C(N([C@@H]2CC[C@@H](O)CC2)C([C@H]3CC[C@H](C)CC3)=O)C=C(C#CC(C)(C)C)S1)O |
| Signaling Pathway | Cell Cycle/DNA Damage; Anti-infection |
| Solubility | In Vitro: DMSO: 100 mg/mL (224.41 mM; Requires sonication; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO) |
| Storage | Powder: -20°C, 3 years; 4°C, 2 years. In solvent: -80°C, 2 years; -20°C, 1 year. |
| Shipping | Room temperature in continental US; may vary elsewhere. |
Literature Cited
Sources cited in this description and in the In Vitro & In Vivo Data tab. Peer-reviewed publications that used this product are listed under References.
[3]. M. Rodriguez-Torres et al. SAFETY AND ANTIVIRAL ACTIVITY OF THE HCV NON-NUCLEOSIDE POLYMERASE INHIBITOR VX-222 IN TREATMENT-NAIVE GENOTYPE 1 HCV-INFECTED PATIENTS Journal of Hepatology Volume 52, Supplement 1, Page S14, April 2010
Safety
For Research Use Only. Not for use in diagnostic or therapeutic procedures, and not for human or veterinary use. Handle in accordance with the Safety Data Sheet and your institution's chemical hygiene plan.
In Vitro
| Solvent | Solubility | Notes |
|---|---|---|
| DMSO | 100 mg/mL (224.41 mM) | requires sonication; use freshly opened DMSO (absorbed moisture lowers solubility) |
Aliquot the stock solution and store it at -80°C (up to 2 years) or -20°C (up to 1 year); avoid repeated freeze-thaw cycles.
In Vivo
Choose the formulation that suits the animal model and route of administration; percentages are volume ratios of the final working solution. Start from a clear DMSO stock (see In Vitro above), add the co-solvents one at a time in the order listed, mixing after each addition, and prepare the working solution fresh on the day of dosing. If precipitation or phase separation occurs, gentle warming or sonication can help.
Protocol 1
| Composition | 10% DMSO + 40% PEG300 + 5% Tween-80 + 45% saline |
|---|---|
| Result | 2.5 mg/mL (5.61 mM); suspension; requires sonication |
| How to prepare | Gives a suspension at 2.5 mg/mL. The suspension is suitable for oral and intraperitoneal dosing. For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 400 μL PEG300; then 50 μL Tween-80; then 450 μL saline to bring the volume to 1 mL. Saline: dissolve 0.9 g sodium chloride in ddH2O and make up to 100 mL. |
Protocol 2
| Composition | 10% DMSO + 90% (20% SBE-β-CD in saline) |
|---|---|
| Result | ≥ 2.5 mg/mL (5.61 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.5 mg/mL (saturation not determined). For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 900 μL 20% SBE-β-CD in saline. 20% SBE-β-CD in saline: dissolve 2 g SBE-β-CD powder in 10 mL saline until clear (4°C, store up to one week). |
Protocol 3
| Composition | 10% DMSO + 90% Corn Oil |
|---|---|
| Result | ≥ 2.5 mg/mL (5.61 mM); clear solution |
| How to prepare | Gives a clear solution at ≥ 2.5 mg/mL (saturation not determined). Use with caution if continuous dosing will exceed two weeks. For 1 mL of working solution: add 100 μL DMSO stock (25.0 mg/mL) to 900 μL corn oil. |
Data provided by the manufacturer.
In Vitro
Lomibuvir (VX-222) inhibits the WT HCV 1b/Con1 replicon with an EC50 of 5.2 nM. Against the mutant replicons M423T, L419M and I482L, Lomibuvir shows EC50s of 79.8, 563.1, 45.3 nM, respectively. Lomibuvir slightly reduces de novo initiation but strongly inhibits primer extension, with an IC50 of 31 nM for primer-extended RNA synthesis[1]. Lomibuvir acts as a non-nucleoside allosteric inhibitor of hepatitis C virus NS5B polymerase[2].
Data provided by the manufacturer. Numbered citations refer to the Literature Cited list in the product description.
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Antiviral candidates against the hepatitis E virus (HEV) and their combinations inhibit HEV growth in in vitro. Antiviral Res 2019 Oct:170:104570.
Screening of novel drugs for inhibiting hepatitis E virus replication. J Virol Methods 2019 Aug:270:1-11. PMID: 31004661
