Mpro inhibitor N3 hemihydrate

Name: Mpro inhibitor N3 hemihydrate
Brand: MedChemExpress
SKU: HY-136149A
Rating: 5.0 (1 reviews)

Cat. No.: HY-136149A Purity: 99.96%: FAQs
Data Sheet SDS COA Handling Instructions

Molarity Calculator

Mpro inhibitor N3 hemihydrate is a potent inhibitor of SARS-CoV-2 Mpro with an EC₅₀ of 16.77 μM for SARS-CoV-2. Mpro inhibitor N3 hemihydrate specifically inhibits Mpro from multiple coronaviruses, including SARS-CoV and MERS-CoV. Mpro inhibitor N3 hemihydrate displays inhibition against HCoV-229E, FIPV, and MHV-A59 with individual IC₅₀ of 4.0 μM, 8.8 μM, and 2.7 μM, respectively.

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

Mpro inhibitor N3 hemihydrate Chemical Structure

Size	Price	Stock	Quantity
5 mg	USD 139	In-stock	Estimated Time of Arrival: December 31
25 mg	USD 580	In-stock	Estimated Time of Arrival: December 31
50 mg		Get quote
100 mg		Get quote

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Customer Review

Based on 1 publication(s) in Google Scholar

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Biological Activity
Purity & Documentation
References
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Description

IC₅₀ & Target

EC50: 16.77 μM (SARS-CoV-2)^[1]

In Vivo

Mpro inhibitor N3 hemihydrate (0-0.64 μM) is able to penetrate cells to inhibit the replication of IBV viruses, probably at the beginning of infection in embryos^[3].

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

Molecular Weight

698.81

Formula

C₃₅H₅₀N₆O₉

Appearance

Solid

Color

White to off-white

SMILES

O=C([C@H](CC(C)C)NC([C@H](C(C)C)NC([C@H](C)NC(C1=NOC(C)=C1)=O)=O)=O)N[C@H](/C=C/C(OCC2=CC=CC=C2)=O)C[C@H](CCN3)C3=O.[1/2].O

Shipping

Room temperature in continental US; may vary elsewhere.

Storage

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

Solvent & Solubility

In Vitro:

DMSO : 100 mg/mL (143.10 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	1.4310 mL	7.1550 mL	14.3100 mL
5 mM	0.2862 mL	1.4310 mL	2.8620 mL
10 mM	0.1431 mL	0.7155 mL	1.4310 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 90% Corn Oil
Solubility: ≥ 2.5 mg/mL (3.58 mM); Clear solution

This protocol yields a clear solution of ≥ 2.5 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 (25.0 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: 99.96%

Select Batch:

Data Sheet (272 KB) SDS (251 KB)

COA (248 KB) HNMR (284 KB) RP-HPLC (251 KB) MS (72 KB) Elemental Analysis Report (105 KB)

Handling Instructions (2659 KB)

References

[1]. Jin Z, et al. Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors. Nature. 2020;582(7811):289-293. [Content Brief]

[2]. Yang H, et al. Design of wide-spectrum inhibitors targeting coronavirus main proteases [published correction appears in PLoS Biol. 2005 Nov;3(11):e428]. PLoS Biol. 2005;3(10):e324. [Content Brief]

[3]. Wang F, et al. Structure of Main Protease from Human Coronavirus NL63: Insights for Wide Spectrum Anti-Coronavirus Drug Design. Sci Rep. 2016;6:22677. Published 2016 Mar 7. [Content Brief]

Complete Stock Solution Preparation Table

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

DMSO	1 mM	1.4310 mL	7.1550 mL	14.3100 mL	35.7751 mL
	5 mM	0.2862 mL	1.4310 mL	2.8620 mL	7.1550 mL
	10 mM	0.1431 mL	0.7155 mL	1.4310 mL	3.5775 mL
	15 mM	0.0954 mL	0.4770 mL	0.9540 mL	2.3850 mL
	20 mM	0.0716 mL	0.3578 mL	0.7155 mL	1.7888 mL
	25 mM	0.0572 mL	0.2862 mL	0.5724 mL	1.4310 mL
	30 mM	0.0477 mL	0.2385 mL	0.4770 mL	1.1925 mL
	40 mM	0.0358 mL	0.1789 mL	0.3578 mL	0.8944 mL
	50 mM	0.0286 mL	0.1431 mL	0.2862 mL	0.7155 mL
	60 mM	0.0239 mL	0.1193 mL	0.2385 mL	0.5963 mL
	80 mM	0.0179 mL	0.0894 mL	0.1789 mL	0.4472 mL
	100 mM	0.0143 mL	0.0716 mL	0.1431 mL	0.3578 mL