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Submit ReviewMpro 13b-K
Description: Coronavirus Mpro inhibitor
Chemical Name: tert-Butyl (1-((S)-1-(((S)-4-(benzylamino)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)butan-2-yl)amino)-3-cyclopropyl-1-oxopropan-2-yl)-2-oxo-1,2-dihydropyridin-3-yl)carbamate
Purity: ≥97% (HPLC)
Biological Activity for Mpro 13b-K
Mpro 13b-K is a coronavirus Mpro inhibitor (IC50 values are 0.12, 0.58 and 0.9 μM for recombinant Mpro from SARS-CoV-2, MERS-CoV and SARS-CoV, respectively). Mpro 13b-K inhibits SARS-CoV-2 infection of human Calu3 cells (IC50 = 2.4 μM). The compound also inhibits SARS-CoV-2 replication in A549-ACE2-TMPRSS2, VeroE6 and Huh7 cell cultures (EC50 values are 0.84, 1.3 and 3.4 μM). Exhibits oral and inhalative bioavailability.
Please note that this product was previously known as Mpro 13b.
Licensing Information
Sold under license from the University of Lübeck
Technical Data for Mpro 13b-K
| M. Wt | 593.68 |
| Formula | C31H39N5O7 |
| Storage | Store at -20°C |
| Purity | ≥97% (HPLC) |
| CAS Number | 2412965-59-2 |
| PubChem ID | 146026181 |
| InChI Key | NLVRHQFXQFSBQK-XWGVYQGASA-N |
| Smiles | CC(C)(OC(NC1=CC=CN(C1=O)[C@H](C(N[C@H](C(C(NCC2=CC=CC=C2)=O)=O)C[C@@H]3CCNC3=O)=O)CC4CC4)=O)C |
The technical data provided above is for guidance only. For batch specific data refer to the Certificate of Analysis.
Tocris products are intended for laboratory research use only, unless stated otherwise.
Solubility Data for Mpro 13b-K
| Solvent | Max Conc. mg/mL | Max Conc. mM | |
|---|---|---|---|
| Solubility | |||
| DMSO | 59.37 | 100 |
Preparing Stock Solutions for Mpro 13b-K
The following data is based on the product molecular weight 593.68. Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass | 1 mg | 5 mg | 10 mg |
|---|---|---|---|
| 1 mM | 1.68 mL | 8.42 mL | 16.84 mL |
| 5 mM | 0.34 mL | 1.68 mL | 3.37 mL |
| 10 mM | 0.17 mL | 0.84 mL | 1.68 mL |
| 50 mM | 0.03 mL | 0.17 mL | 0.34 mL |
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Product Datasheets for Mpro 13b-K
References for Mpro 13b-K
References are publications that support the biological activity of the product.
Zhang et al (2020) Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors. Science 368 409 PMID: 32198291
Cooper et al (2022) Diastereomeric resolution yields highly potent inhibitor of SARS-CoV-2 main protease. J.Med.Chem. 65 13328 PMID: 36179320
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