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Antiviral API
- Arenavirus
- Cytomegalovirus (CMV)
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- Endogenous Metabolite
- Enterovirus (EV)
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- Human immunodeficiency Virus (HIV)
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- Rabies virus (RABV)
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- SARS-CoV
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- Virus Protease
- West Nile virus
- Antiviral intermediates
Rupintrivir
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| Category | Enterovirus (EV) |
| CAS | 223537-30-2 |
| Description | Rupintrivir is a potent and selective irreversible human rhinovirus (HRV) 3C protease inhibitor (EC50 = 5 nM). It has been demonstrated to have in vitro activity against all HRVs tested, consistent with its interaction with a strictly conserved subset of amino acids in the 3C protease. It blocks processing of viral proteins, thus blocking viral replication. |
Product Information
| Synonyms | Ethyl (2E,4S)-4-[[(2R,5S)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[[(5-methyl-3-isoxazolyl)carbonyl]amino]-1,4-dioxoheptyl]amino]-5-[(3S)-2-oxo-3-pyrrolidinyl]-2-pentenoate; AG-7088; AG7088; AG 7088 |
| IUPAC Name | ethyl (E,4S)-4-[[(2R,5S)-2-[(4-fluorophenyl)methyl]-6-methyl-5-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-4-oxoheptanoyl]amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate |
| Molecular Weight | 598.66 |
| Molecular Formula | C31H39FN4O7 |
| Canonical SMILES | CCOC(=O)C=CC(CC1CCNC1=O)NC(=O)C(CC2=CC=C(C=C2)F)CC(=O)C(C(C)C)NC(=O)C3=NOC(=C3)C |
| InChI | InChI=1S/C31H39FN4O7/c1-5-42-27(38)11-10-24(16-21-12-13-33-29(21)39)34-30(40)22(15-20-6-8-23(32)9-7-20)17-26(37)28(18(2)3)35-31(41)25-14-19(4)43-36-25/h6-11,14,18,21-22,24,28H,5,12-13,15-17H2,1-4H3,(H,33,39)(H,34,40)(H,35,41)/b11-10+/t21-,22+,24+,28-/m0/s1 |
| InChIKey | CAYJBRBGZBCZKO-BHGBQCOSSA-N |
| Boiling Point | 866.7°C at 760mmHg |
| Flash Point | 477.9°C |
| Purity | ≥98% |
| Density | 1.213g/cm3 |
| Solubility | In vitro: 10 mM in DMSO |
| Appearance | White Solid |
| Application | Antiviral Agents |
| Storage | Powder: -20°C: 3 years 4°C: 2 years In solvent: -80°C: 6 months -20°C: 1 month |
| Complexity | 1010 |
| Exact Mass | 598.28027776 |
| Index Of Refraction | 1.537 |
| In Vitro | In H1-HeLa and MRC-5 cell protection assays, Rupintrivirvr (AG7088) inhibited the replication of all HRV serotypes (48 of 48) tested with a mean 50% effective concentration (EC50) of 0.023 μM (range, 0.003 to 0.081 μM) and a mean EC90 of 0.082 μM (range, 0.018 to 0.261 μM) as well as that of related picornaviruses including coxsackieviruses A21 and B3, enterovirus 70, and echovirus 11. |
| In Vivo | Rupintrivirvr (AG7088) reduces RV-induced TH-2 cytokine IL-4 in precision-cut lung slices (PCLS) of HDM-sensitized mice ex vivo. |
| PSA | 156.70000 |
| Target | Virus Protease; Enterovirus |
| Vapor Pressure | 1.87E-30mmHg at 25°C |
| XLogP3-AA | 3.1 |
