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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)

Product Datasheet

http://file.medchemexpress.com/batch_PDF/HY-143216/Ensitrelvir-DataSheet-MedChemExpress.pdf

Product MSDS

http://file.medchemexpress.com/batch_PDF/HY-143216/Ensitrelvir-SDS-MedChemExpress.pdf

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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