Ensitrelvir
Ensitrelvir (S-217622) is the first orally active non-covalent, non-peptidic, SARS-CoV-2 3CL protease inhibitor (IC50=13 nM) [1][2].
Product Specifications
CAS Number
[2647530-73-0]
Product Name Alternative
S-217622
UNSPSC
12352005
Hazard Statement
H302, H315, H319
Target
SARS-CoV; Virus Protease
Type
Reference compound
Related Pathways
Anti-infection
Applications
COVID-19-anti-virus
Field of Research
Infection
Assay Protocol
https://www.medchemexpress.com/ensitrelvir.html
Purity
99.66
Solubility
DMSO : 50 mg/mL (ultrasonic)
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
Molecular Formula
C22H17ClF3N9O2
Molecular Weight
531.88
Precautions
H302, H315, H319
References & Citations
[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.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
Phase 3
Citation 01
ACS Pharmacol Transl Sci. 2025 Oct 9.|bioRxiv. 2023 Feb 27:2023.02.25.530000.|bioRxiv. 2023 Nov 27.|bioRxiv. 2023 Oct 21.|bioRxiv. 2024 Feb 3.|bioRxiv. 2025 May 30:2025.05.28.656516.|J Biol Chem. 2023 Jul;299 (7) :104886.|Nat Commun. 2023 Feb 25;14 (1) :1076.|Res Sq. 2025 Apr 20.|Res Sq. 2025 Jul 29.|Structure. 2023 Sep 7;31 (9) :1016-1024.e3.|Emerg Microbes Infect. 2025 Dec;14 (1) :2552716.|PNAS Nexus. 2025 Jan 7;4 (1) :pgae578.
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