2647530-73-0
2647530-73-0
Chemical Structure
Ensitrelvir
Synonym(s): S-217622
- CAS No.: 2647530-73-0
- Formula:C22H17ClF3N9O2
- Molecular Weight:531.88
IUPAC Name: (E)-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-trifluorobenzyl)-1,3,5-triazinane-2,4-dione
InChIKey: QMPBBNUOBOFBFS-UHFFFAOYSA-N
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
Biological Activity: Ensitrelvir (S-217622) is the first orally active non-covalent, non-peptidic, SARS-CoV-2 3CL protease inhibitor (IC50=13 nM)[1][2].
| Cat. No. | Product Name | Purity | Description | Pricing | |||||||||||||||||||
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Ensitrelvir | 99.61% | Ensitrelvir (S-217622) is the first orally active non-covalent, non-peptidic, SARS-CoV-2 3CL protease inhibitor (IC50=13 nM). | ||||||||||||||||||||
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Structural Analogs
-
Similarity Score 0.89
HY-143216AEnsitrelvir fumarate -
Similarity Score 0.64
HY-145619Abimtrelvir -
Similarity Score 0.59
HY-172960SARS-CoV-2 Mpro-IN-44 -
Similarity Score 0.50
HY-178439SARS-CoV-2 3CLpro-IN-33 -
Similarity Score 0.48
HY-146998SARS-CoV-2 3CLpro-IN-2 -
Similarity Score 0.44
HY-137451Sivopixant -
Similarity Score 0.41
HY-163256HSD17B13-IN-59 -
Similarity Score 0.41
HY-W021162Guanylate cyclase-IN-1 -
Similarity Score 0.41
HY-168268c-Met-IN-26 -
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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. [Content Brief]
- [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.
