RO314724
RO314724 is a selective MMP-1 inhibitor. RO314724 chelates to the catalytic zinc ion within the active site of MMP-1 and forms a stable complex with MMP-1. RO314724 can be used for the research of osteoarthritis.
Para uso exclusivo en investigación. No vendemos a pacientes.
- No. CAS: 112105-54-1
- Fòrmula: C19H35N3O6
- Peso molecular:401.50
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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
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Help & FAQs
Actividad biológica
Descripciòn
IC50 & Target
[1]|
MMP-1 |
In Vitro
RO314724 binds to the active site of MMP-1 with a Glide docking score of -7.907 kcal/mol, chelating the catalytic zinc ion via its hydroxamate group[1].
RO314724 forms a stable complex with MMP-1 over 50 ns of molecular dynamics simulation, with a binding free energy of -36.99 kcal/mol, supported by key active site residue interactions[1].
MedChemExpress (MCE) has not independently confirmed the accuracy of these methods. They are for reference only.
Chemical Information
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No. CAS 112105-54-1
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Peso molecular 401.50
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Fòrmula C19H35N3O6
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SMILES
C[C@@H](C(OCC)=O)NC([C@H](CC(C)C)NC([C@@H](CC(NO)=O)CC(C)C)=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
Calculators
Concentration (start) × Volume (start) = Concentration (final) × Volume (final)
RO314724 Related Classifications
HY-115373 Related Classifications
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