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| | MMP13-IN-31f Basic information |
| Product Name: | MMP13-IN-31f | | Synonyms: | MMP13-IN-31f;MMP13-IN-2;Thieno[2,3-d]pyrimidine-2-carboxamide, 5-(3-fluorophenyl)-1,4-dihydro-4-oxo-N-[[3-[2-(1H-1,2,4-triazol-5-yloxy)ethoxy]phenyl]methyl]- | | CAS: | 935759-55-0 | | MF: | C24H19FN6O4S | | MW: | 506.51 | | EINECS: | | | Product Categories: | | | Mol File: | 935759-55-0.mol |  |
| | MMP13-IN-31f Chemical Properties |
| density | 1.53±0.1 g/cm3(Predicted) | | storage temp. | Store at -20°C | | solubility | DMSO : 100 mg/mL (197.43 mM; ultrasonic and warming and heat to 60°C) | | form | Solid | | pka | 9.09±0.20(Predicted) | | color | White to off-white |
| | MMP13-IN-31f Usage And Synthesis |
| Uses | 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 vivo | 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]. | | IC 50 | MMP-13: 0.036 nM (IC50); MMP-2: 180 nM (IC50); MMP-3: 1100 nM (IC50) | | References | [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. DOI:10.1021/acs.jmedchem.6b01007 |
| | MMP13-IN-31f Preparation Products And Raw materials |
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