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Ensitrelvir is an orally bioavailable inhibitor of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) main protease (Mpro), also known as 3C-like protease (3CLpro), with an IC50 value of 0.013 µM. It is selective for Mpro over HIV-1 protease and the human proteases caspase-2, chymotrypsin, thrombin, and cathepsin B, -D, -G, and -L (IC50s = >100 µM for all). Ensitrelvir reduces the cytopathic effects of SARS-CoV-2 clinical isolates, including the Alpha, Beta, Gamma, Delta, and Omicron strains, SARS-CoV, and Middle East respiratory syndrome coronavirus (MERS-CoV), in Vero E6 cells expressing human transmembrane serine protease 2 (TMPRSS2, EC50s = 0.29-1.4 µM). Oral administration of ensitrelvir decreases lung viral titers in a mouse model of SARS-CoV-2 Gamma variant infection when administered at doses ranging from 2 to 32 mg/kg at the time of, and 12 hours after, infection.Formal Name: 6E-[(6-chloro-2-methyl-2H-indazol-5-yl)imino]dihydro-3-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4(1H,3H)-dione. CAS Number: 2647530-73-0. Synonyms: S-217622. Molecular Formula: C22H17ClF3N9O2. Formula Weight: 531.9. Purity: >95%. Formulation: (Request formulation change), A crystalline solid. Solubility: DMF: 1 mg/ml, DMSO: 1 mg/ml. SMILES: O=C(N/1CC2=CC(F)=C(C=C2F)F)N(C(NC1=N/C3=CC4=CN(N=C4C=C3Cl)C)=O)CC5=NN(C)C=N5. InChi Code: InChI=1S/C22H17ClF3N9O2/c1-32-7-12-4-18(13(23)5-17(12)30-32)28-20-29-21(36)35(9-19-27-10-33(2)31-19)22(37)34(20)8-11-3-15(25)16(26)6-14(11)24/h3-7,10H,8-9H2,1-2H3,(H,28,29,36). InChi Key: QMPBBNUOBOFBFS-UHFFFAOYSA-N.
This website uses cookies, which are necessary for the technical operation of the website and are always set. Other cookies, which increase the usability of this website, serve for direct advertising or simplify interaction with other websites and social networks, will only be used with your consent.
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