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Antiviral API
- Arenavirus
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Lufotrelvir
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| Category | SARS-CoV |
| CAS | 2468015-78-1 |
| Description | Lufotrelvir is a small molecule prodrug that targets 3CLpro protease (Mpro), an enzyme used by viruses like SARS-CoV-2 to assemble and multiply. Once administered through intravenous infusion, It is cleaved into PF-00835231 to exert its antiviral effects. |
Product Information
| Synonyms | (3S)-3-[(2S)-2-(4-methoxy-1H-indole-2-carboxamido)-4-methylpentanamido]-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl dihydrogen phosphate; Lufotrelvirum; PF-07304814; PF07304814; PF 07304814; GTPL11249; (3S)-3-({N-[(4-methoxy-1H-indol-2-yl)carbonyl]-L-leucyl}amino)-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl dihydrogen phosphate; 1H-Indole-2-carboxamide, 4-methoxy-N-[(1S)-3-methyl-1-[[[(1S)-2-oxo-1-[[(3S)-2-oxo-3-pyrrolidinyl]methyl]-3-(phosphonooxy)propyl]amino]carbonyl]butyl]- |
| IUPAC Name | [(3S)-3-[[(2S)-2-[(4-methoxy-1H-indole-2-carbonyl)amino]-4-methylpentanoyl]amino]-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl] dihydrogen phosphate |
| Molecular Weight | 552.51 |
| Molecular Formula | C24H33N4O9P |
| Canonical SMILES | CC(C)CC(C(=O)NC(CC1CCNC1=O)C(=O)COP(=O)(O)O)NC(=O)C2=CC3=C(N2)C=CC=C3OC |
| InChI | InChI=1S/C24H33N4O9P/c1-13(2)9-18(28-24(32)19-11-15-16(26-19)5-4-6-21(15)36-3)23(31)27-17(10-14-7-8-25-22(14)30)20(29)12-37-38(33,34)35/h4-6,11,13-14,17-18,26H,7-10,12H2,1-3H3,(H,25,30)(H,27,31)(H,28,32)(H2,33,34,35)/t14-,17-,18-/m0/s1 |
| InChIKey | FQKALOFOWPDTED-WBAXXEDZSA-N |
| Purity | >98% |
| Solubility | Soluble in DMSO |
| Appearance | Solid Powder |
| Storage | Store at 2-8°C for short term (days to weeks) or -20°C for long term (months to years). |
| Complexity | 927 |
| Exact Mass | 552.19851564 |
| In Vivo | Once administered through intravenous infusion, Lufotrelvir is cleaved into PF-00835231 to exert its anti-viral effects. Lufotrelvir exhibits a favorable cardiovascular safety profile. Lufotrelvir is administered intravenously to rats, dogs and monkeys. It exhibits high systemic clearance and short half-life across species forming 68, 81, 76% PF-00835231 in rats, dogs and monkey respectively in comparison to the systemic exposure achieved with IV administration of PF00835231 |
| Target | SARS-CoV |
| XLogP3-AA | 0.5 |
