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Ensitrelvir(S-217622) CAS:2647530-73-0
Ensitrelvir (S-217622) is an oral antiviral drug, which acts as an orally active 3C-like protease inhibitor for the treatment of COVID-19 infection. It has demonstrated antiviral effectiveness against Delta variant and the recently emerged Omicron variant. API CDMO can provide CDMO services for COVID-19 drugs with sufficient capacity, only for research use.
| Product | Ensitrelvir(S-217622) | ||
| CAS No. | 2647530-73-0 | ||
| Synonyms | S-217622;
S 217622; S217622; Xocova; Ensitrelvir fumarate; (6E)-6-[(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. |
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| SMILES | FC1=C(CN2C(N(CC3=NN(C)C=N3)C(N/C2=N\C4=CC5=CN(C)N=C5C=C4Cl)=O)=O)C=C(F)C(F)=C1 | ||
| InChI | 1S/C22H17ClF3N9O2.C4H4O4/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;5-3(6)1-2-4(7)8/h3-7,10H,8-9H2,1-2H3,(H,28,29,36);1-2H,(H,5,6)(H,7,8)/b;2-1+ | ||
| InChI key | FBOCUALVLIWPNQ-WLHGVMLRSA-N | ||
| MF. | C22H17ClF3N9O2 | MW. | 531.88 |
| Appearance | White to off-white powder | Purity | 98% |
| Application | For research use only | Storage | Store at -20°C. |
| COA & NMR | Download | MSDS | Download |
Other Ensitrelvir (S-217622) Intermediates:
6-(Ethylthio)-1-(2,4,5-trifluorobenzyl)-1,3,5-triazine-2,4(1H,3H)-dione
CAS: 2771355-74-7
3-(chloromethyl)-1-methyl-1H-1,2,4-triazole hydrochloride
CAS: 135206-76-7
6-chloro-2-methyl-2H-Indazol-5-amine
CAS: 1893125-36-4
6-(Ethylthio)-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: 2771355-73-6
Reference
[1] Yuto Unoh, et al. Discovery of S-217622, a Non-Covalent Oral SARS-CoV-2 3CL Protease Inhibitor Clinical Candidate for Treating COVID-19. bioRxiv 2022.01.26.477782.
[2] World Health Organization (2022). “International nonproprietary names for pharmaceutical substances (INN): recommended INN: list 88”. WHO Drug Information. 36 (3): 89. hdl:10665/363551
[3] Fujikawa M (22 November 2022). “Japan Approves First Homegrown Covid-19 Antiviral Pill”. The Wall Street Journal. Retrieved 28 November 2022.
[4] Tyndall JD (May 2022). “S-217622, a 3CL Protease Inhibitor and Clinical Candidate for SARS-CoV-2”. Journal of Medicinal Chemistry. 65 (9): 6496–6498.
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