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Ensitrelvir fumarate — Datasheet

CAT. NO. DC48107

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ParameterValue
Chemical NameEnsitrelvir fumarate
CAS No.2757470-18-9
SynonymsEnsitrelvir fumarate
FormulaC26H21ClF3N9O6
M.Wt647.95
SMILESO=C(N(CC1=NN(C)C=N1)C(N/2)=O)N(CC3=CC(F)=C(F)C=C3F)C2=N\C4=CC5=CN(C)N=C5C=C4Cl.O=C(O)/C=C/C(O)=O
Purity>98%
Storage2 years -20°C Powder, 2 weeks 4°C in DMSO, 6 months -80°C in DMSO

Biological Activity

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

In Vitro

In a cytopathic effect (cpe)-inhibition assay of SARS-CoV-2 infected VeroE6/TMPRSS2 cells, Ensitrelvir fumarate 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[1].

In Vivo

Ensitrelvir fumarate dose-dependently inhibits intrapulmonary replication of SARS-CoV-2 in mice[2].

References & source

[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-Covale

DC Chemicals original product information

Published experimental findings depend on the model and assay conditions. They do not guarantee equivalent performance in every application. For laboratory research use only.

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