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Cat. No.: HY-182024

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SARS-CoV-2 3CLpro-IN-36

SARS-CoV-2 3CLpro-IN-36 is a SARS-CoV-2 3CLpro inhibitor and antiviral agent with a human sub-micromolar IC₅₀ against SARS-CoV-2 3CLpro.SARS-CoV-2 3CLpro-IN-36 forms a covalent bond with catalytic Cys145 of SARS-CoV-2 3CLpro; its tetrazole core occupies the S1 pocket and interacts with His163, while its chloroacetamide carbonyl forms hydrogen bonds with the backbone amides of Gly143 and Ser144 in the oxyanion hole.SARS-CoV-2 3CLpro-IN-36 reduces SARS-CoV-2 replication in infected cells.SARS-CoV-2 3CLpro-IN-36 can be used for the research of SARS-CoV-2 infection.

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

Formula: C₂₈H₂₃ClN₆O
Molecular Weight:494.97

Storage:

Please store the product under the recommended conditions in the Certificate of Analysis.

SARS-CoV-2 3CLpro-IN-36 Chemical Structure

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Top Publications Citing

Use of MCE Products

Fluorescent Dye

Strong Fluorescence Signal / Multi-Disciplinary Applications / High Fluorescence Specificity

Biological Activity
- Description
- IC₅₀ & Target
- In Vitro
Chemical Information
Purity & Documentation
References
Calculators
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Bioz

Biological Activity

Description

IC₅₀ & Target^[1]

SARS-CoV-2 3CLPro

827 nM (IC₅₀)

In Vitro

SARS-CoV-2 3CLpro-IN-36 covalently binds to the catalytic site Cys145 and interacts with key active site residues including His163, Gly143 and Ser144, inhibiting the enzymatic activity of purified recombinant SARS-CoV-2 3CLpro with an IC₅₀ of 827 nM^[1].
SARS-CoV-2 3CLpro-IN-36 (0.125-2 μM; added 1 h post initial infection, treated for 23 h) exhibits dose-dependent antiviral activity against SARS-CoV-2 in A549-hACE2 cells, reducing viral mRNA expression, viral protein expression, and progeny viral titer at concentrations ranging from 0.125 to 2 μM^[1].

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

Chemical Information

Molecular Weight 494.97
Formula C₂₈H₂₃ClN₆O
SMILES

ClCC(N(C1=CC=C(C2=CC=CC=C2)C=C1)C(C3=NN=NN3CC4=CC=CC=C4)C5=CC=CN=C5)=O
Shipping

Room temperature in continental US; may vary elsewhere.
Storage

Please store the product under the recommended conditions in the Certificate of Analysis.

Purity & Documentation

Handling Instructions (2659 KB)

References

[1]. van der Straat R, et al. Ugi-Tetrazole-Derived α-Aminomethyl Scaffolds Reveal Unexpected Binding Modes in SARS-CoV-2 3CLpro[J]. ACS Medicinal Chemistry Letters, 2026.

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Help & FAQs

How should lyophilized recombinant proteins be reconstituted and stored?

1. Before opening the cap, centrifuge the vial at 13000 rpm for 20-30 seconds. This step will ensure that any lyophilized powder that may have adhered to the cap or walls is collected at the bottom of the vial, minimizing the risk of product loss.

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100 mg

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