-
Antiviral API
- Arenavirus
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Tegobuvir
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| Category | Hepatitis C Virus (HCV) |
| CAS | 1000787-75-6 |
| Description | Tegobuvir is a non-nucleoside nonstructural protein (NS)5B polymerase inhibitor. |
Product Information
| Synonyms | GS-9190; GS 9190; GS9190; GS-333126; GS 333126; GS333126; Tegobuvir |
| Molecular Weight | 517.4 |
| Molecular Formula | C25H14F7N5 |
| Canonical SMILES | C1=CC=C(C(=C1)C2=NC3=CN(C=CC3=N2)CC4=NN=C(C=C4)C5=C(C=C(C=C5)C(F)(F)F)C(F)(F)F)F |
| InChI | InChI=1S/C25H14F7N5/c26-19-4-2-1-3-17(19)23-33-21-9-10-37(13-22(21)34-23)12-15-6-8-20(36-35-15)16-7-5-14(24(27,28)29)11-18(16)25(30,31)32/h1-11,13H,12H2 |
| InChIKey | XBEQSQDCBSKCHJ-UHFFFAOYSA-N |
| Purity | >98% |
| Solubility | In Vitro: 10 mM in DMSO |
| Appearance | White to off-white (Solid) |
| Storage | Powder: -20°C: 3 years 4°C: 2 years In solvent: -80°C: 6 months -20°C: 1 month |
| Complexity | 765 |
| Exact Mass | 517.11374260 |
| In Vitro | Tegobuvir rapidly increases the proportion of replicons with the Y448H mutation in a dose-dependent manner. After 3 days of treatment, 1.2%, 6.8%, and > 50% of the replicon population expresses Y448H with the use of Tegobuvir at 1, 10, and 20 times its 50% effective concentration, respectively. Tegobuvir exerts anti-HCV activity utilizing a unique chemical activation and subsequent direct interaction with the NS5B protein. Treatment of HCV subgenomic replicon cells with Tegobuvir results in a modified form of NS5B with a distinctly altered mobility on a SDS-PAGE gel. Tegobuvir is potent in GT1a and 1b with mean EC50s of 19.8 and 1.5 nM respectively. For genotype 3a, 4a, and 6a Con chimeras, tegobuvir EC50s are all greater than 100 nM. The F445C NS5B mutations in GT3a, 4a, and 6a chimeric replicons restore tegobuvir potency to EC50 levels comparable to GT1a. |
| PSA | 79.12000 |
| Target | HCV |
| XLogP3-AA | 4.7 |