GC813
GC813 is a MERS-CoV 3CL protease (3CLpro) and MERS-CoV main protease (Mpro) inhibitor. GC813 can be used for the research of middle east respiratory syndrome.
Para uso exclusivo en investigación. No vendemos a pacientes.
- No. CAS: 2170616-59-6
- Fòrmula: C22H31ClN3NaO8S
- Peso molecular:556.00
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Almacenamiento:
Please store the product under the recommended conditions in the Certificate of Analysis.
To place orders, for customer services and technical support, please contact: MedChemExpress USA
Tel: 609-228-6898 E-mail: [email protected] [email protected]
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Actividad biológica
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Chemical Information
- Pureza y Documentación
- Referencias
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Help & FAQs
Actividad biológica
GC813 (3 mM; overnight) can bind to purified MERS-CoV 3CLpro, form a covalent adduct with the active site Cys148, and interact with the S1, S2 and S4 subsites of the enzyme[1].
GC813 (48 h) potently inhibits MERS-CoV replication in Vero81 cells with an EC50 of 0.5 µM[1].
GC813 binds to MERS-CoV Mpro with a binding energy of -8.1 kcal/mol via multiple hydrogen bonds and hydrophobic interactions[2].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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No. CAS 2170616-59-6
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Peso molecular 556.00
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Fòrmula C22H31ClN3NaO8S
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SMILES
O=C(NCC1)[C@@H]1C[C@@H](C(O)S(=O)(O[Na])=O)NC([C@H](CC(C)C)NC(OCCC2=CC(Cl)=CC=C2)=O)=O
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Envío
Room temperature in continental US; may vary elsewhere.
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Almacenamiento
Please store the product under the recommended conditions in the Certificate of Analysis.
Pureza y Documentación
Referencias
[1]. Galasiti Kankanamalage AC, et al. Structure-guided design of potent and permeable inhibitors of MERS coronavirus 3CL protease that utilize a piperidine moiety as a novel design element. Eur J Med Chem. 2018 Apr 25;150:334-346. [Content Brief]
[2]. Gurung AB, et al. In silico screening of FDA approved drugs reveals ergotamine and dihydroergotamine as potential coronavirus main protease enzyme inhibitors. Saudi J Biol Sci. 2020;27(10):2674-2682. [Content Brief]
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
GC813 Related Classifications
HY-183956 Related Classifications
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