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Documentos clave

444283

Sigma-Aldrich

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.

Sinónimos:

MMP-13 Inhibitor, Pyrimidine-4,6-dicarboxylic acid, bis-(4-fluoro-3-methyl-benzylamide)

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About This Item

Fórmula empírica (notación de Hill):
C22H20F2N4O2
Número de CAS:
544678-85-5
Peso molecular:
410.42
Número MDL:
MFCD09878513
Código UNSPSC:
12352200
NACRES:
NA.77

Nivel de calidad

100

Ensayo

≥98% (HPLC)

Formulario

solid

fabricante / nombre comercial

Calbiochem®

condiciones de almacenamiento

OK to freeze
protect from light

color

light yellow

solubilidad

DMSO: 10 mg/mL

Condiciones de envío

ambient

temp. de almacenamiento

2-8°C

cadena SMILES

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)

Clave InChI

PYFRREJCFXFNRR-UHFFFAOYSA-N

Descripción general

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.

Acciones bioquímicas o fisiológicas

Cell permeable: no
Primary Target
MMP-13 activity
Product does not compete with ATP.
Reversible: no
Target IC50: 8 nM against MMP-13

Envase

Packaged under inert gas

Advertencia

Toxicity: Standard Handling (A)

Nota de preparación

Further dilute in buffer immediately prior to use.

Reconstitución

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

Otras notas

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

Información legal

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

Código de clase de almacenamiento

11 - Combustible Solids

Clase de riesgo para el agua (WGK)

WGK 1

Punto de inflamabilidad (°F)

Not applicable

Punto de inflamabilidad (°C)

Not applicable

Certificados de análisis (COA)

Busque Certificados de análisis (COA) introduciendo el número de lote del producto. Los números de lote se encuentran en la etiqueta del producto después de las palabras «Lot» o «Batch»

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Christian K Engel et al.
Chemistry & biology, 12(2), 181-189 (2005-03-01)
Inhibitors for matrix metalloproteinases (MMPs) are under investigation for the treatment of cancer, arthritis, and cardiovascular disease. Here, we report a class of highly selective MMP-13 inhibitors (pyrimidine dicarboxamides) that exhibit no detectable activity against other MMPs. The high-resolution X-ray
Spenser S Smith et al.
eLife, 11 (2022-06-07)
Precise developmental control of jaw length is critical for survival, but underlying molecular mechanisms remain poorly understood. The jaw skeleton arises from neural crest mesenchyme (NCM), and we previously demonstrated that these progenitor cells express more bone-resorbing enzymes including Matrix
Kristina Viiklepp et al.
The Journal of investigative dermatology (2021-11-11)
Cutaneous squamous cell carcinoma (cSCC) is the most common metastatic skin cancer with increasing incidence worldwide. Previous studies have demonstrated the role of complement system in cSCC progression. In this study we have investigated the mechanistic role of serine protease

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