| Identification | Back Directory | [Name]
MMP-13 Inhibitor | [CAS]
544678-85-5 | [Synonyms]
DB04760
MMP-13 Inhibitor
DB04760
(DB 04760)
DB04760 (COMPOUND 4)
N,N'-Bis[(4-fluoro-3-methylphenyl)methyl]-4,6-pyrimidinedicarboxamide
4,6-Pyrimidinedicarboxamide, N4,N6-bis[(4-fluoro-3-methylphenyl)methyl]-
N4,N6-Bis(4-fluoro-3-Methylbenzyl)pyriMidine-4,6-dicarboxaMide | [Molecular Formula]
C22H20F2N4O2 | [MDL Number]
MFCD09878513 | [MOL File]
544678-85-5.mol | [Molecular Weight]
410.42 |
| Chemical Properties | Back Directory | [Boiling point ]
684.6±55.0 °C(Predicted) | [density ]
1.286±0.06 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
≤0.5mg/ml in ethanol;2mg/ml in DMSO;2mg/ml in dimethyl formamide | [form ]
Light yellow crystalline solid. | [pka]
11.79±0.46(Predicted) | [color ]
Light yellow to yellow |
| Hazard Information | Back Directory | [Description]
MMP-13 Inhibitor is a pyrimidine dicarboxamide that inhibits matrix metalloproteinase-13 (MMP-13, also known as collagenase-3) with an IC50 value of 8 nM. MMP-13 Inhibitor binds to pockets that are unique to MMP-13, rather than the catalytic zinc, and thus is specific for MMP-13 over other MMPs. MMP-13 Inhibitor blocks osterix-dependent calcification of matrices in limb bud cells during endochondral ossification. | [Chemical Properties]
White crystal | [in vitro]
mmp-13 inhibitor was previously synthesized as a pyrimidine dicarboxamide that could inhibit the matrix metalloproteinase-13 (mmp-13) with the ic50 of 8 nm. moreover, mmp-13 inhibitor was found to be able to bind to mmp pockets that are unique to mmp-13 rather than the catalytic zinc, and therefore was specific for mmp-13 over other mmps. in addition, during endochondral ossification, mmp-13 inhibitor could also block osterix-dependent calcification of matrices in limb bud cells [1, 2, 3]. | [IC 50]
8 nm | [References]
1. carrascal, n.a. and rizzo, r.c. calculation of binding free energies for non-zinc chelating pyrimidine dicarboxamide inhibitors with mmp-13. bioorg.med.chem.lett. 19(1), (2009).2. engel, c.k.,pirard, b.,schimanski, s., et al. structural basis for the highly selective inhibition of mmp-13. chem.biol. 12(2), 181-189 (2005).3. nishimura, r.,wakabayashi, m.,hata, k., et al. osterix regulates calcification and degradation of chondrogenic matrices through matrix metalloproteinase 13 (mmp13) expression in association with transcription factor runx2 during endochondral ossification. j.biol.chem. 287(40), 33179-33190 (2012). |
|
| Company Name: |
BePharm Ltd
|
| Tel: |
400-685-9117 |
| Website: |
www.bepharm.com |
| Company Name: |
Alabiotech Inc.
|
| Tel: |
001-619-354-5251 |
| Website: |
www.alabiotech-e.com |
|