Ensitrelvir (fumarate)

Ensitrelvir (S-217622) fumarate is the first orally active non-covalent, non-peptidic, SARS-CoV-2 3CL protease inhibitor (IC50=13 nM) [1][2].

Product Specifications

CAS Number

[2757470-18-9]

Product Name Alternative

S-217622 (fumarate)

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-fumarate.html

Purity

99.99

Solubility

DMSO : 100 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.O=C(O)/C=C/C(O)=O

Molecular Formula

C26H21ClF3N9O6

Molecular Weight

647.95

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.