[CAS NO. 2647530-73-0] Ensitrelvir

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PRODUCTS SPECIFICATIONS [2647530-73-0]

Catalog

HY-143216

Brand

MCE

CAS

2647530-73-0

DESCRIPTION [2647530-73-0]

Overview

MDL	-
Molecular Weight	531.88
Molecular Formula	C22H17ClF3N9O2
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

For research use only. We do not sell to patients.

Summary

Ensitrelvir (S-217622) is the first orally active non-covalent, non-peptidic, SARS-CoV-2 3CL protease inhibitor ( IC ₅₀ =13 nM) ^[1] ^[2] .

In Vitro

In a cytopathic effect (cpe)-inhibition assay of SARS-CoV-2 infected VeroE6/TMPRSS2 cells, Ensitrelvir 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 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
NCT05409911	Shionogi\|Shionogi Inc.	Hepatic Impairment	September 13, 2022	Phase 1
NCT05305547	Shionogi\|National Institute of Allergy and Infectious Diseases (NIAID)\|Shionogi Inc.	SARS-CoV-2 Infection	August 3, 2022	Phase 3
NCT05363215	Shionogi\|Shionogi Inc.	Renal Impairment	August 10, 2022	Phase 1
NCT05605093	University of Minnesota\|National Institute of Allergy and Infectious Diseases (NIAID)	COVID-19	November 1, 2022	Phase 3

Appearance

Solid

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

Powder	-20°C	3 years
	4°C	2 years
In solvent	-80°C	6 months
	-20°C	1 month

Solvent & Solubility

In Vitro:

DMSO : 50 mg/mL ( 94.01 mM ; Need ultrasonic)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	1.8801 mL	9.4006 mL	18.8012 mL
5 mM	0.3760 mL	1.8801 mL	3.7602 mL
10 mM	0.1880 mL	0.9401 mL	1.8801 mL

* Please refer to the solubility information to select the appropriate solvent.

In Vivo:

1.

Add each solvent one by one: 10% DMSO >> 40% PEG300 >> 5% Tween-80 >> 45% saline

Solubility: ≥ 2.5 mg/mL (4.70 mM); Clear solution
2.

Add each solvent one by one: 10% DMSO >> 90% (20% SBE-β-CD in saline)

Solubility: ≥ 2.5 mg/mL (4.70 mM); Clear solution
3.

Add each solvent one by one: 10% DMSO >> 90% corn oil

Solubility: ≥ 2.5 mg/mL (4.70 mM); Clear solution

* All of the co-solvents are available by MCE.