2768834-39-3

2768834-39-3 structure

Name: SARS-CoV-2 Mpro-IN-2
Chemical Name: SARS-CoV-2 Mpro-IN-2
CAS Number: 2768834-39-3
Molecular Formula: C₂₂H₂₀Cl₂N₄O₂S
Molecular Weight: 475.39
Catalog: Signaling Pathways Anti-infection SARS-CoV
Create Date: 2022-10-10 19:18:29
Modify Date: 2024-01-03 17:08:53
SARS-CoV-2 Mpro-IN-2 (compound GC-14) is a selective, low cytotoxic and non-covalent Mpro inhibitor (IC50=0.40 μM) with good anti-SARS-CoV-2 activity (EC50=1.1 μM). SARS-CoV-2 Mpro-IN-2 can be used in COVID-19 studies[1].

Name	SARS-CoV-2 Mpro-IN-2

Description	SARS-CoV-2 Mpro-IN-2 (compound GC-14) is a selective, low cytotoxic and non-covalent Mpro inhibitor (IC50=0.40 μM) with good anti-SARS-CoV-2 activity (EC50=1.1 μM). SARS-CoV-2 Mpro-IN-2 can be used in COVID-19 studies[1].
Related Catalog	Research Areas >> Infection Signaling Pathways >> Anti-infection >> SARS-CoV
Target	Mpro:0.40 μM (IC50)
In Vitro	SARS-CoV-2 Mpro-IN-2 (0.01-100 μM; 4 h) shows low cytotoxicity in Vero E6 cells[1]. Cell Cytotoxicity Assay[1] Cell Line: Vero E6 cells Concentration: 0.01-100 μM Incubation Time: 4 h Result: Exhibited low cytotoxicity with a CC50 value of more than 100 μM.
In Vivo	SARS-CoV-2 Mpro-IN-2 (2 mg/kg; i.v.; single) exhibits clearance rate (CL), mean residence time (MRT), and half-life (t1/2) are 3140 mL/h/kg, 0.40 h, and 0.36 h, respectively[1]. SARS-CoV-2 Mpro-IN-2 (10 mg/kg; p.o.; single) is rapidly absorbed, with a time-to-maximum concentration (Tmax) of 0.5 h, and shows a moderate pharmacokinetic profile including a favorable t1/2 (1.73 h), a maximum concentration (Cmax) 74.6 ng/mL, and an area under curve (AUC0-t) of 235 ng h/mL[1]. Animal Model: Male Sprague-Dawley rats[1]. Dosage: 2 mg/kg (for i.v.); 10 mg/kg (for p.o.). Administration: Intravenous injection or oral administration; single. Result: 1.19Pharmacokinetic Parameters of SARS-CoV-2 Mpro-IN-2 in Male Sprague-Dawley rats[1]. IV (2 mg/kg) PO (10 mg/kg) t1/2 (h) 0.36 1.73 Tmax (h) 0.08 0.5 Cmax (ng/mL) 1310 74.6 C0 (ng/mL) 1760 - AUC0-t (ng/mL•h) 627 235 AUC0-∞ (ng/mL•h) 637 230 MRT0-∞ (h) 0.40 2.45 CL (mL/h/kg) 3140 - F (%) - 7.2
References	[1]. Gao S, et al. Discovery and Crystallographic Studies of Trisubstituted Piperazine Derivatives as Non-Covalent SARS-CoV-2 Main Protease Inhibitors with High Target Specificity and Low Toxicity. J Med Chem. 2022 Sep 15:acs.jmedchem.2c01146.

Molecular Formula	C₂₂H₂₀Cl₂N₄O₂S
Molecular Weight	475.39

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