| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg | |||
| Other Sizes |
| Targets |
The primary target of MMP3 inhibitor 1 is matrix metalloproteinase-3 (MMP-3), also known as stromelysin-1. MMP-3 is a member of the matrix metalloproteinase family of zinc-dependent endopeptidases that are involved in the degradation of extracellular matrix components. It is a potent and highly selective inhibitor, with an IC50 of 1 nM for MMP-3. It shows significantly lower activity against other MMPs, including MMP-1 (IC50 = 14000 nM), MMP-2 (IC50 = 529 nM), MMP-9 (IC50 = 2420 nM), and MMP-14 (IC50 = 20100 nM).
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| ln Vitro |
MMP3 inhibitor 1 (compound 27) has an IC50 of 14000, 529, 2420, and 20100 nM, respectively, for MMP-1, MMP-2, MMP-9, and MMP-14 [1].
In vitro, MMP3 inhibitor 1 is a potent and highly selective inhibitor of MMP-3, with an IC50 of 1 nM. It also inhibits MMP-1, MMP-2, MMP-9, and MMP-14 with IC50s of 14000, 529, 2420, and 20100 nM, respectively. This high selectivity for MMP-3 allows researchers to dissect the specific role of this enzyme from other MMPs in complex biological systems. It is used in biochemical assays to validate MMP-3 as a therapeutic target. |
| ln Vivo |
In vivo, MMP3 inhibitor 1 is used as a research tool to study the role of MMP-3 in disease models. Its high selectivity allows for the specific inhibition of MMP-3, helping to elucidate its function in conditions such as arthritis, cancer, and cardiovascular disease. However, specific in vivo efficacy data for this compound are limited. It is a valuable tool for target validation and mechanistic studies. It is not approved for clinical use.
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| Enzyme Assay |
Cell-free enzyme assays for MMP3 inhibitor 1 typically use recombinant human MMP-3 enzyme. A standard protocol involves incubating the enzyme with a fluorogenic peptide substrate (e.g., Mca-PLGL-Dpa-AR-NH2) and varying concentrations of the inhibitor in a reaction buffer. The reaction is carried out at 37degC, and the increase in fluorescence due to substrate cleavage is measured over time. The IC50 is determined from the dose-response curve. The selectivity of the compound is assessed by testing its activity against a panel of other MMPs.
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| Cell Assay |
For in vitro cellular experiments, cells that produce MMP-3, such as fibroblasts or cancer cells, are cultured in appropriate media. Cells are treated with MMP3 inhibitor 1 at various concentrations (typically 1 nM to 10 uM). MMP-3 activity in the cell culture supernatant is measured using a fluorogenic substrate assay or by gelatin zymography. Cell proliferation, migration, and invasion can be assessed to study the functional consequences of MMP-3 inhibition. These experiments define its cellular potency and efficacy.
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| Animal Protocol |
In vivo animal experiments with MMP3 inhibitor 1 are typically conducted in mouse models of disease where MMP-3 is implicated, such as arthritis or cancer. A common protocol involves administering the compound via intraperitoneal (IP) or oral (PO) injection at various doses (e.g., 1-50 mg/kg). Disease progression is monitored using appropriate endpoints, such as joint swelling in arthritis models or tumor growth in cancer models. MMP-3 activity in tissues is assessed by Western blot or activity assays.
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| ADME/Pharmacokinetics |
MMP3 inhibitor 1 has a molecular weight of 477.57 g/mol and a molecular formula of C23H31N3O6S. It is a small molecule that is soluble in DMSO. For in vivo studies, it can be formulated in a vehicle such as DMSO, PEG300, or saline. It should be stored as a powder at -20degC, protected from light and moisture. Its pharmacokinetic properties, including oral bioavailability and half-life, would need to be characterized for therapeutic development.
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| Toxicity/Toxicokinetics |
The toxicity profile of MMP3 inhibitor 1 has not been extensively characterized. As a selective MMP-3 inhibitor, it is expected to have fewer off-target effects than broad-spectrum MMP inhibitors, which have been associated with significant toxicity. However, the role of MMP-3 in normal physiological processes means that its inhibition could have consequences. It is for research use only and not for human therapeutic use. It should be handled with standard laboratory precautions.
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| References | |
| Additional Infomation |
MMP3 inhibitor 1 (Compound 27) is a potent and highly selective small-molecule inhibitor of matrix metalloproteinase-3 (MMP-3), with an IC50 of 1 nM. It shows much lower activity against other MMPs, including MMP-1, MMP-2, MMP-9, and MMP-14. This high selectivity makes it a valuable tool for studying the specific role of MMP-3 in various biological processes and diseases. It is not approved for clinical use.
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| Molecular Formula |
C23H31N3O6S
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|---|---|
| Molecular Weight |
477.573745012283
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| Exact Mass |
477.193
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| CAS # |
312930-75-9
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| PubChem CID |
9956699
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| Appearance |
White to off-white solid powder
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| LogP |
1.8
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| Hydrogen Bond Donor Count |
3
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| Hydrogen Bond Acceptor Count |
8
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| Rotatable Bond Count |
8
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| Heavy Atom Count |
33
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| Complexity |
748
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| Defined Atom Stereocenter Count |
0
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| SMILES |
S(C(C(NO)=O)(C)C)(N1CCC(C2C=CC(C3C=CC=C(N=3)OCCO)=C(C)C=2)CC1)(=O)=O
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| InChi Key |
YVBOXQAMDNUBQA-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H31N3O6S/c1-16-15-18(7-8-19(16)20-5-4-6-21(24-20)32-14-13-27)17-9-11-26(12-10-17)33(30,31)23(2,3)22(28)25-29/h4-8,15,17,27,29H,9-14H2,1-3H3,(H,25,28)
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| Chemical Name |
N-hydroxy-2-[4-[4-[6-(2-hydroxyethoxy)pyridin-2-yl]-3-methylphenyl]piperidin-1-yl]sulfonyl-2-methylpropanamide
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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) |
May dissolve in DMSO (in most cases), if not, try other solvents such as H2O, Ethanol, or DMF with a minute amount of products to avoid loss of samples
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| Solubility (In Vivo) |
Note: Listed below are some common formulations that may be used to formulate products with low water solubility (e.g. < 1 mg/mL), you may test these formulations using a minute amount of products to avoid loss of samples.
Injection Formulations
Injection Formulation 1: DMSO : Tween 80： Saline = 10 : 5 : 85 (i.e. 100 μL DMSO stock solution → 50 μL Tween 80 → 850 μL Saline)(e.g. IP/IV/IM/SC) *Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH ₂ O to obtain a clear solution. Injection Formulation 2: DMSO : PEG300 ：Tween 80 : Saline = 10 : 40 : 5 : 45 (i.e. 100 μL DMSO → 400 μLPEG300 → 50 μL Tween 80 → 450 μL Saline) Injection Formulation 3: DMSO : Corn oil = 10 : 90 (i.e. 100 μL DMSO → 900 μL Corn oil) Example: Take the Injection Formulation 3 (DMSO : Corn oil = 10 : 90) as an example, if 1 mL of 2.5 mg/mL working solution is to be prepared, you can take 100 μL 25 mg/mL DMSO stock solution and add to 900 μL corn oil, mix well to obtain a clear or suspension solution (2.5 mg/mL, ready for use in animals). View More
Injection Formulation 4: DMSO : 20% SBE-β-CD in saline = 10 : 90 [i.e. 100 μL DMSO → 900 μL (20% SBE-β-CD in saline)] Oral Formulations
Oral Formulation 1: Suspend in 0.5% CMC Na (carboxymethylcellulose sodium) Oral Formulation 2: Suspend in 0.5% Carboxymethyl cellulose Example: Take the Oral Formulation 1 (Suspend in 0.5% CMC Na) as an example, if 100 mL of 2.5 mg/mL working solution is to be prepared, you can first prepare 0.5% CMC Na solution by measuring 0.5 g CMC Na and dissolve it in 100 mL ddH2O to obtain a clear solution; then add 250 mg of the product to 100 mL 0.5% CMC Na solution, to make the suspension solution (2.5 mg/mL, ready for use in animals). View More
Oral Formulation 3: Dissolved in PEG400 (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0939 mL | 10.4697 mL | 20.9393 mL | |
| 5 mM | 0.4188 mL | 2.0939 mL | 4.1879 mL | |
| 10 mM | 0.2094 mL | 1.0470 mL | 2.0939 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.
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