| Size | Price | Stock | Qty |
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| 1mg |
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| 5mg |
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| 10mg |
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| Other Sizes |
| Targets |
MMP-9 0.9 nM (IC50) MMP-13 0.9 nM (IC50) MMP-1 43 nM (IC50) MMP-3 23 nM (IC50) MMP-7 931 nM (IC50)
Matrix metalloproteinase-9 (MMP-9) and matrix metalloproteinase-13 (MMP-13), with IC50 values of 0.9 nM for both enzymes. It also inhibits MMP-1, MMP-3, and MMP-7 at higher concentrations (IC50 = 43 nM, 23 nM, and 930 nM, respectively), showing good selectivity. |
|---|---|
| ln Vitro |
MMP-9/MMP-13 Inhibitor I (Compound 35) has IC50 values of 43 nM, 23 nM, and 931 nM, respectively, for inhibiting MMP-1, MMP-3, and MMP-7[1].
MMP-9/MMP-13 Inhibitor I potently inhibits MMP-9 and MMP-13 with an IC50 of 0.9 nM for both. It is over 20 times more selective for MMP-9/MMP-13 than for other MMP family members. At higher concentrations, it can inhibit MMP-1 (IC50 = 43 nM), MMP-3 (IC50 = 23 nM), and MMP-7 (IC50 = 931 nM). |
| ln Vivo |
Detailed in vivo activity data for this specific compound are not widely published. However, as a selective inhibitor of MMP-9 and MMP-13, it has potential applications in reducing tissue damage, inflammation, and cancer progression by inhibiting the breakdown of the extracellular matrix. Its therapeutic effects are likely mediated through this mechanism.
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| Enzyme Assay |
For non-cellular assays, the recombinant human MMP-9 or MMP-13 enzyme is incubated in a buffer (e.g., 50 mM Tris-HCl, pH 7.5, 10 mM CaCl2, 150 mM NaCl). A fluorogenic FRET substrate, such as Mca-PLGL-Dpa-AR-NH2, is added, and the fluorescence is monitored (excitation 325 nm, emission 393 nm) to measure enzymatic activity. MMP-9/MMP-13 Inhibitor I is added at varying concentrations (0.1-100 nM). IC50 values are calculated from the dose-response curves.
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| Cell Assay |
For cell-based assays, cells that produce MMPs (e.g., HT1080 fibrosarcoma cells for MMP-9) are treated with the inhibitor. The cells can be stimulated with a phorbol ester (e.g., PMA) to induce MMP expression and secretion. The cell culture media is then collected and incubated with the FRET substrate to measure MMP activity. The inhibition of MMP activity by the compound in the cell environment can be calculated.
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| Animal Protocol |
For animal studies, the MMP-9/MMP-13 Inhibitor I can be administered orally or intraperitoneally to mouse models of cancer, osteoarthritis, or other MMP-driven diseases. Dosing regimens would need to be optimized based on the specific model and the compound's PK/PD profile. The compound could be formulated using 10% DMSO + 40% PEG300 + 5% Tween 80 + 45% saline for in vivo administration.
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| ADME/Pharmacokinetics |
MMP-9/MMP-13 Inhibitor I is cell-permeable and has a molecular weight of 495.55 g/mol. It is soluble in DMSO (25 mg/mL) and DMF (30 mg/mL) and can be formulated for in vivo use in a standard vehicle (e.g., 10% DMSO/40% PEG300/5% Tween-80/45% saline). The powder is stored at -20degC for long-term stability.
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| Toxicity/Toxicokinetics |
Toxicological data for this specific compound are limited. However, as with any MMP inhibitor, off-target effects and toxicity are a potential concern. The compound should be handled with care and is intended for research use only. Standard laboratory safety precautions, including the use of gloves and eye protection, should be observed.
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| References | |
| Additional Infomation |
This compound, also known under synonyms MMP-9/MMP-13 Inhibitor I and N-Hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(4-biphenylcarbonyl)piperazine-2-carboxamide, is a powerful research tool for studying MMP-9 and MMP-13 biology. It is a first-in-class potent and selective inhibitor with low nanomolar IC50 values. It is not an approved drug and is intended for research use only.
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| Molecular Formula |
C25H25N3O6S
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|---|---|
| Molecular Weight |
495.547505140305
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| Exact Mass |
495.146
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| CAS # |
204140-01-2
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| PubChem CID |
9983251
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| Appearance |
White to off-white solid powder
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| LogP |
2.5
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
7
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| Rotatable Bond Count |
6
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| Heavy Atom Count |
35
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| Complexity |
825
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| Defined Atom Stereocenter Count |
0
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| SMILES |
N1(S(C2=CC=C(OC)C=C2)(=O)=O)CCN(C(C2=CC=C(C3=CC=CC=C3)C=C2)=O)CC1C(NO)=O
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| InChi Key |
KXZZWRQJKQVMKR-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C25H25N3O6S/c1-34-21-11-13-22(14-12-21)35(32,33)28-16-15-27(17-23(28)24(29)26-31)25(30)20-9-7-19(8-10-20)18-5-3-2-4-6-18/h2-14,23,31H,15-17H2,1H3,(H,26,29)
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| Chemical Name |
N-hydroxy-1-(4-methoxyphenyl)sulfonyl-4-(4-phenylbenzoyl)piperazine-2-carboxamide
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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: 250 mg/mL (504.49 mM)
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|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.08 mg/mL (4.20 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (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 20.8 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: ≥ 2.08 mg/mL (4.20 mM) (saturation unknown) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (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 20.8 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. View More
Solubility in Formulation 3: ≥ 2.08 mg/mL (4.20 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 2.0180 mL | 10.0898 mL | 20.1796 mL | |
| 5 mM | 0.4036 mL | 2.0180 mL | 4.0359 mL | |
| 10 mM | 0.2018 mL | 1.0090 mL | 2.0180 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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