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Antiviral API
- Arenavirus
- Cytomegalovirus (CMV)
- Endogenous Metabolite
- Enterovirus (EV)
- Epstein-Barr virus (EBV)
- Filovirus
- HCV Protease
- Hepatitis B Virus (HBV)
- Hepatitis C Virus (HCV)
- Herpes simplex Virus (HSV)
- HIF/HIF Prolyl-Hydroxylase
- HIV Integrase
- HIV Protease
- Human immunodeficiency Virus (HIV)
- Human papillomavirus (HPV)
- Influenza Virus
- Orthopoxvirus
- Others
- Respiratory syncytial Virus (RSV)
- Reverse Transcriptases (RTs)
- SARS-CoV
- Virus Protease
- Antiviral intermediates
Ensitrelvir
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| Category | SARS-CoV |
| CAS | 2647530-73-0 |
| Description | Ensitrelvir (S-217622) is the first orally active non-covalent, non-peptidic, SARS-CoV-2 3CL protease inhibitor (IC50=13 nM). |
Product Information
| Synonyms | Ensitrelvir|2647530-73-0|UNII-PX665RAA3H|PX665RAA3H|S-217622|6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione|7YY|Ensitrelvir [INN]|Ensitrelvir (S-217622)|GTPL11871|BDBM513874|GLXC-25352|EX-A5760|AT32299|HY-143216|CS-0374996|S217622|bioRxiv20220126.477782, S-217622|(6E)-6-[(6-chloro-2-methyl-2H-indazol-5-yl)imino]-3-[(1-methyl-1H-1,2,4-triazol-3-yl)methyl]-1-[(2,4,5-trifluorophenyl)methyl]-1,3,5-triazinane-2,4-dione|1,3,5-Triazine-2,4(1H,3H)-dione, 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)-, (6E)- |
| Molecular Weight | 531.88 |
| Molecular Formula | C22H17ClF3N9O2 |
| Canonical SMILES | 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 |
| Purity | 0.9874 |
| Solubility | In Vitro: DMSO : 160 mg/mL(300.82 mM;Need ultrasonic) In Vivo: 1.Add each solvent one by one:10% DMSO >> 40%PEG300 >> 5%Tween-80 >> 45% saline Solubility: ≥ 5 mg/mL (9.40 mM); Clear solution 2.Add each solvent one by one:10% DMSO >> 90%corn oil Solubility: ≥ 5 mg/mL (9.40 mM); Clear solution |
| Appearance | White to light yellow (Solid) |
| Storage | Powder: -20°C: 3 years 4°C: 2 years In solvent: -80°C: 6 months -20°C: 1 month |
| Complexity | 919 |
| Exact Mass | 531.1145830 |
| In Vitro | In a cytopathic effect (cpe)-inhibition assay of SARS-CoV-2 infected VeroE6/TMPRSS2 cells, Ensitrelvir shows the EC50 values are approximately 0.4 μM for both wild-type virus and Alpha, Beta, Gamma and Delta variants. EC50 values for SARS-CoV and MERS-CoV were 0.21 and 1.4 μM respectively. |
| In Vivo | Ensitrelvir dose-dependently inhibits intrapulmonary replication of SARS-CoV-2 in mice. |
| Target | SARS-CoV; Virus Protease |
| XLogP3-AA | 2.5 |
