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444283

MMP-13 Inhibitor

Name: MMP-13 Inhibitor
Brand: MM

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)

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About This Item

Empirical Formula (Hill Notation):

C₂₂H₂₀F₂N₄O₂

CAS Number:

544678-85-5

Molecular Weight:

410.42

MDL number:

MFCD09878513

UNSPSC Code:

12352200

NACRES:

NA.77

Assay:

≥98% (HPLC)

Form:

solid

Storage condition:

OK to freeze, protect from light

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Properties

Quality Segment

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

Preparation Note

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

Further dilute in buffer immediately prior to use.

Other Notes

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

Legal Information

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

Disclaimer

Toxicity: Standard Handling (A)

Storage Class

11 - Combustible Solids

wgk

WGK 1

flash_point_f

Not applicable

flash_point_c