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S-217622 (Ensitrelvir)
AOB16461
CAS: 2647530-73-0
Chemical Name: Ensitrelvir; 6-[(6-Chloro-2-methylindazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4-dione
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In stock
Quantity Discount Table - Order More To Get More Price Discount
| Quantity | mg | Unit Price ($/mg or $/Unit) | Final Price |
|---|---|---|---|
| 1 | 5 | $22.95 | Total: $114.75 |
| 1 | 10 | $19.44 | Total: $194.40 |
| 1 | 25 | $16.47 | Total: $411.75 |
| 1 | 50 | $14.04 | Total: $702.00 |
| 1 | 100 | $12.15 | Total: $1,215.00 |
Overview
Novel reversible SARS-CoV-2 3CLpro inhibitor
Chemical Properties
| Molecular Formula | C22H17ClF3N9O2 |
| Molecular Weight | 531.88 |
| CAS Numbers | 2647530-73-0 |
| Solubility | DMSO |
| Purity | 98% by HPLC |
| IUPAC/Chemical Name | 6-[(6-Chloro-2-methylindazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazine-2,4-dione |
| InChl Key | QMPBBNUOBOFBFS-UHFFFAOYSA-N |
| InChl 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) |
| SMILES Code | CN1C=C2C=C(C(=CC2=N1)Cl)NC3=NC(=O)N(C(=O)N3CC4=CC(=C(C=C4F)F)F)CC5=NN(C=N5)C |
Storage and Handling
0°C (short term), -20°C (long term), desiccated
Synonyms
Ensitrelvir; S217622
References
1) McKimm-Breschkin JL, et al. COVID-19, Influenza and RSV: Surveillance-informed prevention and treatment - Meeting report from an isirv-WHO virtual conference. Antiviral Res. 2022;197:105227.}}2) 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.
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