For research use only. Not for therapeutic Use.
MMP13-IN-2 is a potent, selective and orally active MMP-13 inhibitor. MMP13-IN-2 exhibits excellent potency for MMP-13 (IC50=0.036 nM) and selectivities (greater than 1,500-fold) over MMP-1, 3, 7, 8, 9, 14, and TACE. MMP13-IN-2 has the ability to block the release of collagen from cartilage in vitro. MMP13-IN-2 has the potential for collagenase related disease research[1].
In a bovine nasal cartilage (BNC) assay, the chondrocyte-mediated degradation of cartilage was studied using bovine nasal cartilage slices cultured for up to 14 days. MMP13-IN-2 (0.01-1 µM) is effective at preventing the IL-1/OSM induced in vitro degradation of BNC (-17.6%, 48.4% and 70.8% inhibition of cartilage degradation, respectively).[1].
MMP13-IN-2 (oral gavage; 1 mg/kg) shows the best combination of CYP3A4 inhibition risk and oral exposure at a dose of 1 mg/kg in rats and mice (F% = 33 and 38, respectively)[1].
| Catalog Number | I045520 |
| CAS Number | 935759-55-0 |
| Synonyms | 5-(3-fluorophenyl)-4-oxo-N-[[3-[2-(1H-1,2,4-triazol-5-yloxy)ethoxy]phenyl]methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide |
| Molecular Formula | C24H19FN6O4S |
| Purity | ≥95% |
| InChI | InChI=1S/C24H19FN6O4S/c25-16-5-2-4-15(10-16)18-12-36-23-19(18)21(32)29-20(30-23)22(33)26-11-14-3-1-6-17(9-14)34-7-8-35-24-27-13-28-31-24/h1-6,9-10,12-13H,7-8,11H2,(H,26,33)(H,27,28,31)(H,29,30,32) |
| InChIKey | MLUCCAMJMIYYED-UHFFFAOYSA-N |
| SMILES | C1=CC(=CC(=C1)OCCOC2=NC=NN2)CNC(=O)C3=NC4=C(C(=CS4)C5=CC(=CC=C5)F)C(=O)N3 |
| Reference | [1]. Hiroshi Nara, et al. Discovery of Novel, Highly Potent, and Selective Matrix Metalloproteinase (MMP)-13 Inhibitors with a 1,2,4-Triazol-3-yl Moiety as a Zinc Binding Group Using a Structure-Based Design Approach. J Med Chem. 2017 Jan 26;60(2):608-626. |
