444283

MMP-13 Inhibitor

The MMP-13 Inhibitor, also referenced under CAS 544678-85-5, controls the biological activity of MMP-13. This small molecule/inhibitor is primarily used for Protease Inhibitors applications.

• Synonym(s): MMP-13 Inhibitor, Pyrimidine-4,6-dicarboxylic acid, bis-(4-fluoro-3-methyl-benzylamide)
• Empirical Formula (Hill Notation): C₂₂H₂₀F₂N₄O₂
• CAS Number: 544678-85-5
• Molecular Weight: 410.42
• MDL number: MFCD09878513
• UNSPSC Code: 12352200
• NACRES: NA.77

Properties

• Quality Level: 100
• Assay: ≥98% (HPLC)
• form: solid
• manufacturer/tradename: Calbiochem^®
• storage condition: OK to freeze; protect from light
• color: light yellow
• solubility: DMSO: 10 mg/mL
• shipped in: ambient
• storage temp.: 2-8°C
• SMILES string: Fc1c(cc(cc1)CNC(=O)c2ncnc(c2)C(=O)NCc3cc(c(cc3)F)C)C
• InChI: 1S/C22H20F2N4O2/c1-13-7-15(3-5-17(13)23)10-25-21(29)19-9-20(28-12-27-19)22(30)26-11-16-4-6-18(24)14(2)8-16/h3-9,12H,10-11H2,1-2H3,(H,25,29)(H,26,30)
• InChI key: PYFRREJCFXFNRR-UHFFFAOYSA-N

Description

General description

A potent inhibitor of MMP-13 activity (IC₅₀ = 8 nM) with expected selectivity over MMP-1, -2, -3, -7, -8, -9, -10, -12, -14 and -16 as determined by conformational structure analysis. Shown to bind to the MMP-13 catalytic domain and act as a non-zinc-chelating inhibitor.

A pyrimidine dicarboxamide compound that potently inhibits MMP-13 activity (IC₅₀ = 8 nM) with expected selectivity over MMP-1, -2, -3, -7, -8, -9, -10, -12, -14 and -16 as determined by conformational structure analysis. Shown to bind to the MMP-13 catalytic domain and act as a non-zinc-chelating inhibitor.

Biochem/physiol Actions

Cell permeable: no

Primary Target
MMP-13 activity

Product does not compete with ATP.

Reversible: no

Target IC₅₀: 8 nM against MMP-13

Packaging

Packaged under inert gas

Warning

Toxicity: Standard Handling (A)

Preparation Note

Further dilute in buffer immediately prior to use.

Reconstitution

Following reconstitution, aliquot and freeze (-20°C). Stock solutions are stable for up to 6 months at -20°C.

Other Notes

Engel, C.K., et al. 2005. Chem. Biol.12, 181.

Legal Information

CALBIOCHEM is a registered trademark of Merck KGaA, Darmstadt, Germany

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 1
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable