[CAS NO. 2757470-18-9] Ensitrelvirfumarate
PRODUCTS SPECIFICATIONS [2757470-18-9]
DESCRIPTION [2757470-18-9]
Overview
| MDL | - |
|---|---|
| Molecular Weight | 647.95 |
| Molecular Formula | C26H21ClF3N9O6 |
| 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 |
Summary
In Vitro
In a cytopathic effect (cpe)-inhibition assay of SARS-CoV-2 infected VeroE6/TMPRSS2 cells, Ensitrelvir fumarate shows the EC 50 values are approximately 0.4 μM for both wild-type virus and Alpha, Beta, Gamma and Delta variants. EC 50 values for SARS-CoV and MERS-CoV were 0.21 and 1.4 μM respectively [1] .
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
In Vivo
Ensitrelvir fumarate dose-dependently inhibits intrapulmonary replication of SARS-CoV-2 in mice [2] .
MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Clinical Trial
| NCT Number | Sponsor | Condition | Start Date | Phase |
|---|---|---|---|---|
| NCT05305547 | Shionogi|National Institute of Allergy and Infectious Diseases (NIAID)|Shionogi Inc. |
SARS-CoV-2 Infection
|
August 3, 2022 | Phase 3 |
| NCT05605093 | University of Minnesota|National Institute of Allergy and Infectious Diseases (NIAID) |
COVID-19
|
November 1, 2022 | Phase 3 |
| NCT05409911 | Shionogi|Shionogi Inc. |
Hepatic Impairment
|
September 13, 2022 | Phase 1 |
| NCT05363215 | Shionogi|Shionogi Inc. |
Renal Impairment
|
August 10, 2022 | Phase 1 |
Appearance
Solid
Shipping
Room temperature in continental US; may vary elsewhere.
Storage
4°C, sealed storage, away from moisture
* In solvent : -80°C, 6 months; -20°C, 1 month (sealed storage, away from moisture)
Solvent & Solubility
DMSO : 50 mg/mL ( 77.17 mM ; Need ultrasonic)
Stock Solutions
| Concentration Solvent Mass | 1 mg | 5 mg | 10 mg |
|---|
| 1 mM | 1.5433 mL | 7.7166 mL | 15.4333 mL |
| 5 mM | 0.3087 mL | 1.5433 mL | 3.0867 mL |
| 10 mM | 0.1543 mL | 0.7717 mL | 1.5433 mL |
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.
- [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.