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Cat. No.: HY-189418

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HL-3-68

HL-3-68 is a SARS-CoV-2 main protease (MPro) inhibitor (IC₅₀ = 0.29 μM; K_i = 0.89 μM; K_d = 0.75 μM). HL-3-68 stabilizes the primary binding site of MPro, locks the S1 and S2 subsites, and reduces loop flexibility. HL-3-68 is used for COVID-19 research.

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

CAS No.: 2778223-60-0
Formula: C₁₅H₁₃Cl₃N₄O₃
Molecular Weight:403.65

Storage:

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

HL-3-68 Chemical Structure

CAS No.: 2778223-60-0

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Use of MCE Products

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

Biological Activity
- Description
- In Vitro
Chemical Information
Protocols (1)
Purity & Documentation
References
Calculators
Help & FAQs
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Biological Activity

Description

In Vitro

HL-3-68 (90 μM) binds to MPro with a K_d of 0.75 μM, and modification to KK-7 slightly improves this affinity to a K_d of 0.47 μM^[1].
HL-3-68 (20 μM; 0.03-100 μM) is a potent inhibitor of SARS-CoV-2 M^pro in vitro, with an IC₅₀ of 0.29 μM and a K_i of 0.89 μM, but it lacks antiviral activity in cell-based assays^[2].

MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only. Further protocols information, click here.

Chemical Information

CAS No. 2778223-60-0
Molecular Weight 403.65
Formula C₁₅H₁₃Cl₃N₄O₃
SMILES

O=C(C1=CC(NC(N1)=O)=O)N2CCN(C3=CC(Cl)=C(Cl)C(Cl)=C3)CC2
Shipping

Room temperature in continental US; may vary elsewhere.
Storage

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

Protocols

All Cell Biology

Cell Cytotoxicity Assay
Cytotoxicity assays are usually based on the assessment of cell membrane damage, which can also be indirectly detected by measuring cell viability. Detection methods include MTT assay, CKK-8 assay, LDH assay and ATP assay, etc.

Purity & Documentation

Handling Instructions (2659 KB)

References

[1]. Bhandari D, et al. Noncovalent SARS-CoV-2 main protease inhibitors targeting the catalytic dyad and primed substrate binding subsites. RSC Med Chem. 2026 Aug 14.

[2]. Kneller DW, et al. Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease. J Med Chem. 2021 Dec 9;64(23):17366-17383. [Content Brief]

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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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