| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
The primary target of DB04760 analog 1 is matrix metalloproteinase-13 (MMP-13). The parent compound DB04760 is a highly selective inhibitor of MMP-13, with an IC50 of 8 nM, and displays high selectivity over other MMPs. It binds deeply in the S1' pocket of MMP-13 and does not interact with the catalytic zinc ion, which is a key feature contributing to its high specificity.
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| ln Vitro |
As an analog of DB04760, this compound is expected to exhibit potent and selective in vitro inhibition of MMP-13. The parent compound has an IC50 of 8 nM, a value likely shared by this analog. As a non-zinc-chelating inhibitor, it is highly selective, avoiding the off-target cross-reactivity with other MMPs like MMP-1 and MMP-9 that is common with broad-spectrum inhibitors.
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| ln Vivo |
The parent compound DB04760 has shown significant in vivo activity by reducing paclitaxel neurotoxicity and has anticancer activity. In zebrafish models, DB04760 significantly rescues axon regeneration and axon debris clearance, greatly reducing neurotoxicity associated with paclitaxel treatment. It has also been shown to rescue glucose-induced cardiac edema.
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| Enzyme Assay |
The in vitro potency of MMP-13 inhibitors is typically measured using a fluorescence-based enzyme activity assay like the SensoLyte 520 MMP-13 Assay Kit. The recombinant catalytic domain of human MMP-13 is incubated with the test compound at various concentrations and a fluorogenic substrate. The increase in fluorescence, correlating with enzymatic activity, is measured kinetically to determine the IC50.
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| Cell Assay |
General cell-based assays for MMP-13 inhibitors involve treating cells with the compound to measure its effects on cell activity. A typical protocol would involve seeding cancer cells in a 96-well plate, treating them with different concentrations of the compound for 48-72 hours, and then using a standard viability assay like MTT or CellTiter-Glo. Efficacy can also be measured via Matrigel invasion assays.
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| Animal Protocol |
MMP-13 inhibitors have been validated in several in vivo animal models. In a rat model of rheumatoid arthritis, an oral MMP-13 inhibitor resulted in a dose-dependent decrease in clinical symptoms and cartilage erosion by up to 38% at 30 mg/kg. Another common model is LPS-induced periodontal disease in mice, where MMP-13 inhibition reduces inflammatory bone resorption.
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| ADME/Pharmacokinetics |
Detailed pharmacokinetic data specific to DB04760 analog 1 is not publicly available. However, for the parent compound DB04760, studies have shown the feasibility of oral application, as it reaches efficient plasma levels in animals. Its logP is 3.3, indicating moderate lipophilicity.
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| Toxicity/Toxicokinetics |
No direct toxicity data is available for this specific analog. As a research-use inhibitor of a matrix metalloproteinase, its toxicity profile is likely related to its mechanism of action. Standard laboratory safety precautions, including the use of a fume hood, gloves, and protective clothing, should be followed when handling this compound.
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| Additional Infomation |
This product is for research use only. The parent compound DB04760 has been used to demonstrate that MMP-13 is a key mediator of paclitaxel-induced neurotoxicity, making it an important tool for studying chemotherapy-induced peripheral neuropathy. It is also a pyrimidine dicarboxamide-class probe for isolating MMP-13's specific roles in axon regeneration and diabetic complication pathways.
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| Molecular Formula |
C23H21F2N3O2
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|---|---|
| Molecular Weight |
409.43
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| Exact Mass |
409.16
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| CAS # |
2728373-94-0
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| PubChem CID |
145925691
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| Appearance |
White to off-white solid powder
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| LogP |
3.3
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
30
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| Complexity |
543
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| Defined Atom Stereocenter Count |
0
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| SMILES |
CC1=C(C=CC(=C1)CNC(=O)C2=CC(=CN=C2)C(=O)NCC3=CC(=C(C=C3)F)C)F
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| InChi Key |
OJLMGGCCARSXJV-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H21F2N3O2/c1-14-7-16(3-5-20(14)24)10-27-22(29)18-9-19(13-26-12-18)23(30)28-11-17-4-6-21(25)15(2)8-17/h3-9,12-13H,10-11H2,1-2H3,(H,27,29)(H,28,30)
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| Chemical Name |
3-N,5-N-bis[(4-fluoro-3-methylphenyl)methyl]pyridine-3,5-dicarboxamide
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| HS Tariff Code |
2934.99.9001
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| Storage |
Powder -20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month |
| Shipping Condition |
Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)
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| Solubility (In Vitro) |
DMSO: ≥ 270 mg/mL (659.45 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.25 mg/mL (5.50 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution.
For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 22.5 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.4424 mL | 12.2121 mL | 24.4242 mL | |
| 5 mM | 0.4885 mL | 2.4424 mL | 4.8848 mL | |
| 10 mM | 0.2442 mL | 1.2212 mL | 2.4424 mL |
*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.
Calculation results
Working concentration： mg/mL；
Method for preparing DMSO stock solution： mg drug pre-dissolved in μL DMSO (stock solution concentration mg/mL). Please contact us first if the concentration exceeds the DMSO solubility of the batch of drug.
Method for preparing in vivo formulation:：Take μL DMSO stock solution, next add μL PEG300, mix and clarify, next addμL Tween 80, mix and clarify, next add μL ddH2O，mix and clarify.
(1) Please be sure that the solution is clear before the addition of next solvent. Dissolution methods like vortex, ultrasound or warming and heat may be used to aid dissolving.
(2) Be sure to add the solvent(s) in order.
Products are for research use only; We do not sell to patients
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