| Identification | Back Directory | [Name]
PLpro-IN-3 | [CAS]
3047093-72-8 | [Synonyms]
PLpro-IN-3
2-Thiophenecarboxylic acid, 5-[[[5-[5-[1-(2-fluoro[1,1′-biphenyl]-4-yl)ethyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]amino]methyl]- | [Molecular Formula]
C29H24FN3O3S | [MOL File]
3047093-72-8.mol | [Molecular Weight]
513.58 |
| Chemical Properties | Back Directory | [Boiling point ]
719.3±70.0 °C(predicted) | [density ]
1.321±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(predicted) | [pka]
3.56±0.10(predicted) |
| Hazard Information | Back Directory | [Uses]
PLpro-IN-3 (compound 26R) is a potent Papain-like protease (PLpro) inhibitor with a IC50 of 1.0μM. PLpro-IN-3 exhibits antiviral activity against SARS-CoV-2 with a EC50 of 4.3 μM[1]. | [References]
[1] Qin B, et al. Design, Synthesis, and Biological Evaluation of 1,2,4-Oxadiazole Derivatives Containing an Aryl Carboxylic Acid Moiety as Potent Sarbecovirus Papain-like Protease Inhibitors. J Med Chem. 2024 Jun 27;67(12):10211-10232. DOI:10.1021/acs.jmedchem.4c00534 |
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