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Antiviral API
- Arenavirus
- Cytomegalovirus (CMV)
- Dengue virus
- Endogenous Metabolite
- Enterovirus (EV)
- Epstein-Barr virus (EBV)
- Filovirus
- Flavivirus
- HCV Protease
- Hepatitis B Virus (HBV)
- Hepatitis C Virus (HCV)
- Herpes simplex Virus (HSV)
- HIF/HIF Prolyl-Hydroxylase
- HIV Integrase
- HIV Protease
- Human immunodeficiency Virus (HIV)
- Human papillomavirus (HPV)
- Influenza Virus
- Nipah virus
- Orthopoxvirus
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- Rabies virus (RABV)
- Respiratory syncytial Virus (RSV)
- Reverse Transcriptases (RTs)
- SARS-CoV
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- Virus Protease
- West Nile virus
- Antiviral intermediates
Setrobuvir (ANA598)
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| Category | Respiratory syncytial Virus (RSV) |
| CAS | 1071517-39-9 |
| Description | Setrobuvir (ANA598) is an orally active non-nucleosidic HCV NS5B polymerase inhibitor. ANA-598 inhibits both de novo RNA synthesis and primer extension, with IC50s between 4 and 5 nM. Setrobuvir also shows excellent binding affinity to SARS- CoV-2 RdRp and induces RdRp inhibition. |
Product Information
| Synonyms | SETROBUVIR; ANA-598; 1071517-39-9; Setrobuvir(USAN); Setrobuvir[USAN:INN]; SCHEMBL390586 |
| IUPAC Name | N-[3-[(1R,2S,7R,8S)-3-[(4-fluorophenyl)methyl]-6-hydroxy-4-oxo-3-azatricyclo[6.2.1.02,7]undec-5-en-5-yl]-1,1-dioxo-4H-1λ6,2,4-benzothiadiazin-7-yl]methanesulfonamide |
| Molecular Weight | 560.617603 |
| Molecular Formula | C25H25FN4O6S2 |
| Canonical SMILES | CS(=O)(=O)NC1=CC2=C(C=C1)NC(=C3C(=O)C4C5CCC(C5)C4N(C3=O)CC6=CC=C(C=C6)F)NS2(=O)=O |
| InChI | InChI=1S/C25H25FN4O6S2/c1-37(33,34)28-17-8-9-18-19(11-17)38(35,36)29-24(27-18)21-23(31)20-14-4-5-15(10-14)22(20)30(25(21)32)12-13-2-6-16(26)7-3-13/h2-3,6-9,11,14-15,20,22,27-29H,4-5,10,12H2,1H3/b24-21+/t14-,15+,20+,22-/m0/s1 |
| InChIKey | VPHXUNBMNWOYNQ-XLBCSPGISA-N |
| Purity | 95% |
| Solubility | In vitro: 10 mM in DMSO |
| Appearance | Solid powder |
| Storage | Store at -20°C |
| Complexity | 1270 |
| Exact Mass | 560.11995504 |
| In Vitro | Setrobuvir (ANA598) is a non-nucleoside inhibitor that binds to the palm pocket of the HCV polymerase and has an EC50 against HCV genotype 1b/Con1-containing subgenomic replicons in the nanomolar range. Setrobuvir appears to inhibit both de novoinitiated RNA synthesis and primer extension, and its activity is unchanged by the presence of mutations that modify the activity of thumb-binding non-nucleoside inhibitors. |
| PSA | 162.00000 |
| Target | DNA/RNA Synthesis; HCV; SARS-CoV |
| XLogP3-AA | 1.7 |
Description of First Aid Measures
Eye contact
Remove any contact lenses, locate eye-wash station, and flush eyes immediately with large amounts of water. Separate eyelids with fingers to ensure adequate flushing. Promptly call a physician.
Skin contactRinse skin thoroughly with large amounts of water. Remove contaminated clothing and shoes and call a physician.
InhalationImmediately relocate self or casualty to fresh air. If breathing is difficult, give cardiopulmonary resuscitation (CPR). Avoid mouth-to-mouth resuscitation.
IngestionWash out mouth with water; Do NOT induce vomiting; call a physician.