SARS-CoV-2 Mpro-IN-2

Name: SARS-CoV-2 Mpro-IN-2
Brand: MedChemExpress
SKU: HY-151482
Rating: 4.5 (1 reviews)

Cat. No.: HY-151482 Purity: 98.96%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

SARS-CoV-2 Mpro-IN-2 (compound GC-14) is a selective, low cytotoxic and non-covalent M^pro 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.

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

SARS-CoV-2 Mpro-IN-2 Chemical Structure

CAS No. : 2768834-39-3

Size	Price	Stock	Quantity
1 mg	USD 200	In-stock	Estimated Time of Arrival: December 31
5 mg	USD 500	In-stock	Estimated Time of Arrival: December 31
10 mg	USD 800	In-stock	Estimated Time of Arrival: December 31
25 mg	USD 1600	In-stock	Estimated Time of Arrival: December 31
50 mg	USD 2400	In-stock	Estimated Time of Arrival: December 31
100 mg		Get quote
200 mg		Get quote

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Based on 1 publication(s) in Google Scholar

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Biological Activity
Purity & Documentation
References
Customer Review

Description

IC₅₀ & Target^[1]

Mpro

0.40 μM (IC₅₀)

Cellular Effect

Cell Line	Type	Value	Description	References
Vero C1008	CC₅₀	> 100 μM Compound: GC-14	Cytotoxicity against african green monkey Vero E6 cells assessed as reduction in cell viability after 26 hrs by MTS assay Cytotoxicity against african green monkey Vero E6 cells assessed as reduction in cell viability after 26 hrs by MTS assay	[PMID: 36475694]
Vero C1008	CC₅₀	> 100 μM Compound: GC-14	Cytotoxicity against African green monkey Vero E6 cells assessed as reduction in cell viability incubated for 26 hrs by celltiter 96 aqueous non-radioactive cell proliferation assay Cytotoxicity against African green monkey Vero E6 cells assessed as reduction in cell viability incubated for 26 hrs by celltiter 96 aqueous non-radioactive cell proliferation assay	[PMID: 36107752]

In Vitro

SARS-CoV-2 Mpro-IN-2 (0.01-100 μM; 4 h) shows low cytotoxicity in Vero E6 cells^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

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 (t_1/2) 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 (T_max) of 0.5 h, and shows a moderate pharmacokinetic profile including a favorable t_1/2 (1.73 h), a maximum concentration (C_max) 74.6 ng/mL, and an area under curve (AUC_0-t) of 235 ng h/mL^[1].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.

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:

1.19 Pharmacokinetic Parameters of SARS-CoV-2 Mpro-IN-2 in Male Sprague-Dawley rats^[1].

	IV (2 mg/kg)	PO (10 mg/kg)
t_1/2 (h)	0.36	1.73
T_max (h)	0.08	0.5
C_max (ng/mL)	1310	74.6
C₀ (ng/mL)	1760	-
AUC_0-t (ng/mL•h)	627	235
AUC_0-∞ (ng/mL•h)	637	230
MRT_0-∞ (h)	0.40	2.45
CL (mL/h/kg)	3140	-
F (%)	-	7.2

Molecular Weight

475.39

Formula

C₂₂H₂₀Cl₂N₄O₂S

CAS No.

2768834-39-3

Appearance

Solid

Color

White to off-white

SMILES

ClC(C=CC(N1CCN(C(C2=CN=CC=C2)=O)C[C@H]1C(NCC3=CC=CS3)=O)=C4)=C4Cl

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 : 200 mg/mL (420.71 mM; Need ultrasonic; Hygroscopic DMSO has a significant impact on the solubility of product, please use newly opened DMSO)

Preparing
Stock Solutions

Concentration Solvent Mass	1 mg	5 mg	10 mg

1 mM	2.1035 mL	10.5177 mL	21.0354 mL
5 mM	0.4207 mL	2.1035 mL	4.2071 mL
10 mM	0.2104 mL	1.0518 mL	2.1035 mL

View the Complete Stock Solution Preparation Table

* Please refer to the solubility information to select the appropriate solvent. Once prepared, please aliquot and store the solution to prevent product inactivation from repeated freeze-thaw cycles.
Storage method and period of stock solution: -80°C, 6 months; -20°C, 1 month. When stored at -80°C, please use it within 6 months. When stored at -20°C, please use it within 1 month.

Molarity Calculator
Dilution Calculator

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)

In Vivo:

Select the appropriate dissolution method based on your experimental animal and administration route.

For the following dissolution methods, please ensure to first prepare a clear stock solution using an In Vitro approach and then sequentially add co-solvents:
To ensure reliable experimental results, the clarified stock solution can be appropriately stored based on storage conditions. As for the working solution for in vivo experiments, it is recommended to prepare freshly and use it on the same day.
The percentages shown for the solvents indicate their volumetric ratio in the final prepared solution. If precipitation or phase separation occurs during preparation, heat and/or sonication can be used to aid dissolution.

Protocol 1

Add each solvent one by one: 10% DMSO 40% PEG300 5% Tween-80 45% Saline
Solubility: ≥ 5 mg/mL (10.52 mM); Clear solution

This protocol yields a clear solution of ≥ 5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 mg/mL) to 400 μL PEG300, and mix evenly; then add 50 μL Tween-80 and mix evenly; then add 450 μL Saline to adjust the volume to 1 mL.
Preparation of Saline: Dissolve 0.9 g sodium chloride in ddH₂O and dilute to 100 mL to obtain a clear Saline solution.
Protocol 2

Add each solvent one by one: 10% DMSO 90% (20% SBE-β-CD in Saline)
Solubility: ≥ 5 mg/mL (10.52 mM); Clear solution

This protocol yields a clear solution of ≥ 5 mg/mL (saturation unknown).
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 mg/mL) to 900 μL 20% SBE-β-CD in Saline, and mix evenly.
Preparation of 20% SBE-β-CD in Saline (4°C, storage for one week): 2 g SBE-β-CD powder is dissolved in 10 mL Saline, completely dissolve until clear.
Protocol 3

Add each solvent one by one: 10% DMSO 90% Corn Oil
Solubility: ≥ 5 mg/mL (10.52 mM); Clear solution

This protocol yields a clear solution of ≥ 5 mg/mL (saturation unknown). If the continuous dosing period exceeds half a month, please choose this protocol carefully.
Taking 1 mL working solution as an example, add 100 μL DMSO stock solution (50.0 mg/mL) to 900 μL Corn oil, and mix evenly.

In Vivo Dissolution Calculator

Please enter the basic information of animal experiments:

Dosage

mg/kg

Animal weight
(per animal)

Dosing volume
(per animal)

μL

Number of animals

Recommended: Prepare an additional quantity of animals to account for potential losses during experiments.

Please enter your animal formula composition:

DMSO +

Tween-80 +

Saline

Recommended: Keep the proportion of DMSO in working solution below 2% if your animal is weak.

The co-solvents required include: DMSO, . All of co-solvents are available by MedChemExpress (MCE). , Tween 80. All of co-solvents are available by MedChemExpress (MCE).

Calculation results:

Working solution concentration: mg/mL

Method for preparing stock solution: mg drug dissolved in μL DMSO (Stock solution concentration: mg/mL).

The concentration of the stock solution you require exceeds the measured solubility. The following solution is for reference only. If necessary, please contact MedChemExpress (MCE).

Method for preparing in vivo working solution for animal experiments: Take μL DMSO stock solution, add μL . μL , mix evenly, next add μL Tween 80, mix evenly, then add μL Saline.

If the continuous dosing period exceeds half a month, please choose this protocol carefully.

Please ensure that the stock solution in the first step is dissolved to a clear state, and add co-solvents in sequence. You can use ultrasonic heating (ultrasonic cleaner, recommended frequency 20-40 kHz), vortexing, etc. to assist dissolution.

Purity & Documentation

Purity: 98.96%

Select Batch:

Data Sheet (280 KB) SDS (252 KB)

COA (251 KB) HNMR (145 KB) RP-HPLC (165 KB) LCMS (231 KB)

Handling Instructions (2659 KB)

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. [Content Brief]

Complete Stock Solution Preparation Table

Optional Solvent	Concentration Solvent Mass	1 mg	5 mg	10 mg	25 mg

DMSO	1 mM	2.1035 mL	10.5177 mL	21.0354 mL	52.5884 mL
	5 mM	0.4207 mL	2.1035 mL	4.2071 mL	10.5177 mL
	10 mM	0.2104 mL	1.0518 mL	2.1035 mL	5.2588 mL
	15 mM	0.1402 mL	0.7012 mL	1.4024 mL	3.5059 mL
	20 mM	0.1052 mL	0.5259 mL	1.0518 mL	2.6294 mL
	25 mM	0.0841 mL	0.4207 mL	0.8414 mL	2.1035 mL
	30 mM	0.0701 mL	0.3506 mL	0.7012 mL	1.7529 mL
	40 mM	0.0526 mL	0.2629 mL	0.5259 mL	1.3147 mL
	50 mM	0.0421 mL	0.2104 mL	0.4207 mL	1.0518 mL
	60 mM	0.0351 mL	0.1753 mL	0.3506 mL	0.8765 mL
	80 mM	0.0263 mL	0.1315 mL	0.2629 mL	0.6574 mL
	100 mM	0.0210 mL	0.1052 mL	0.2104 mL	0.5259 mL