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Antiviral API
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PSI-7976
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| Category | Hepatitis C Virus (HCV) |
| CAS | 1190308-01-0 |
| Description | PSI-7976 is an inhibitor of HCV RNA replication with EC50 value of 1.07μM. PSI-7851 is a phosphoramidate prodrug of PSI-7411 and has potent anti-hepatitis C virus (HCV) activity. It is a mixture of two diastereoisomers. PSI-7976 is one of them. Another one is PSI-7977. PSI-7851 is firstly activated through being hydrolyzed by CatA and CES1in the liver cells. It is found that CatA prefers PSI-7977 as a substrate over PSI-7976 while CES1 preferentially hydrolyzes PSI-7976 over PSI-7977. Since CES1 does not express in clone A replicon cells, the ability of PSI-7976 and PSI-7977 to inhibit HCV RNA replication is different in these cells. PSI-7977 is more potent than PSI-7976 with EC50 value of 92nM. |
Product Information
| Synonyms | Sofosbuvir (R)-Phosphate; (2S)-Isopropyl 2-(((((2R,3R,4R,5R)-5-(2,4-Dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-4-methyltetrahydrofuran-2-yl)methoxy)(phenoxy)phosphoryl)amino)propanoate; N-[[P(R),2'R]-2'-Deoxy-2'-fluoro-2'-methyl-P-phenyl-5'-uridylyl]-L-alanine 1-Methylethyl Ester |
| IUPAC Name | propan-2-yl (2S)-2-[[[(2R,3R,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxy-4-methyloxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate |
| Molecular Weight | 529.45 |
| Molecular Formula | C22H29FN3O9P |
| Canonical SMILES | CC(C)OC(=O)C(C)NP(=O)(OCC1C(C(C(O1)N2C=CC(=O)NC2=O)(C)F)O)OC3=CC=CC=C3 |
| InChI | InChI=1S/C22H29FN3O9P/c1-13(2)33-19(29)14(3)25-36(31,35-15-8-6-5-7-9-15)32-12-16-18(28)22(4,23)20(34-16)26-11-10-17(27)24-21(26)30/h5-11,13-14,16,18,20,28H,12H2,1-4H3,(H,25,31)(H,24,27,30)/t14-,16+,18+,20+,22+,36+/m0/s1 |
| InChIKey | TTZHDVOVKQGIBA-YBSJRAAASA-N |
| Melting Point | 76-82°C |
| 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 | 913 |
| Exact Mass | 529.16254467 |
| In Vitro | PSI-7851 is a mixture of two diastereoisomers, PSI-7976 and PSI-7977, with PSI-7977 being the more active inhibitor of HCV RNA replication in the HCV replicon assay. Carboxylesterase 1 (CES1) preferentially hydrolyzes PSI-7976 over PSI-7977. The kinetic data also indicates that PSI-7976 is a better substrate for CES1 than for cathepsin A (CatA). |
| PSA | 167.99000 |
| Target | HCV |
| XLogP3-AA | 1 |