| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| Other Sizes |
| Targets |
MMP-1 24 nM (IC50) MMP-3 18.4 nM (IC50) MMP-7 30 nM (IC50) MMP-9 2.7 nM (IC50)
MMP-1 (IC50 = 24 nM), MMP-3 (IC50 = 18.4 nM), MMP-7 (IC50 = 30 nM), and MMP-9 (IC50 = 2.7 nM). This compound is a potent, reversible pan-MMP inhibitor with a high affinity for these targets. |
|---|---|
| ln Vitro |
MMP Inhibitor II potently and reversibly inhibits multiple MMPs with low nanomolar IC50 values: MMP-9 (IC50 = 2.7 nM), MMP-3 (IC50 = 18.4 nM), MMP-1 (IC50 = 24 nM), and MMP-7 (IC50 = 30 nM). This broad-spectrum activity makes it a general MMP inhibitor, often used to investigate the collective function of these enzymes.
|
| ln Vivo |
Detailed in vivo activity data for this specific inhibitor are not widely reported. However, as a pan-MMP inhibitor, it has potential in vivo applications in models where broad-spectrum MMP inhibition is beneficial, such as in certain cancer models, inflammatory diseases, or angiogenesis research. Further in vivo studies would be required to characterize its efficacy and safety.
|
| Enzyme Assay |
For non-cellular assays, the recombinant human MMP enzyme is incubated in a standard assay buffer (e.g., 50 mM Tris-HCl, pH 7.5, 10 mM CaCl2, 150 mM NaCl) with a fluorogenic FRET substrate (e.g., Mca-PLGL-Dpa-AR-NH2) at 37degC. MMP Inhibitor II is added at concentrations ranging from 0.1-100 nM. The increase in fluorescence (excitation 325 nm, emission 393 nm) is monitored to calculate the inhibition of enzymatic activity. IC50 values are calculated from the dose-response curves.
|
| Cell Assay |
For cell-based assays, cells that secrete MMPs (e.g., cancer cells or macrophages) are treated with MMP Inhibitor II (e.g., 0.1-10 uM). The cells can be stimulated with a phorbol ester (e.g., PMA) to induce MMP expression. After 24-48 hours, the conditioned media is collected and its MMP activity is measured using the FRET substrate. The inhibition of MMP activity is calculated by comparing treated cells to the control group.
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| Animal Protocol |
For animal studies, MMP Inhibitor II can be administered intraperitoneally or orally to rodent models of cancer, inflammation, or other MMP-driven diseases. Doses would need to be optimized based on the compound's pharmacokinetic profile and the disease model. The compound can be formulated in vehicles such as DMSO, PEG300, Tween-80, and saline for in vivo administration.
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| ADME/Pharmacokinetics |
MMP Inhibitor II has a molecular weight of 513.58 g/mol and a molecular formula of C21H27N3O8S2. It has high solubility in DMSO and is stable in powder form at -20degC for up to three years. In a solution, it can be stored at -80degC for up to 6 months. The compound is provided as a white to off-white solid powder.
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| Toxicity/Toxicokinetics |
Detailed toxicological data for MMP Inhibitor II are limited. As a potent, broad-spectrum MMP inhibitor, there is potential for toxicity due to the role of MMPs in normal tissue homeostasis and repair. Standard safety precautions for handling research chemicals should be followed, including the use of appropriate personal protective equipment (PPE). The compound is not intended for human use.
|
| References | |
| Additional Infomation |
MMP Inhibitor II (compound 4e) is a widely used research tool for studying MMP biology. Its molecular formula is C21H27N3O8S2, with an exact mass of 513.124. The IUPAC name is N-hydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxamide. It is not an approved drug and is intended for research use only.
|
| Molecular Formula |
C21H27N3O8S2
|
|---|---|
| Molecular Weight |
513.58
|
| Exact Mass |
513.123
|
| CAS # |
203915-59-7
|
| PubChem CID |
4218
|
| Appearance |
White to off-white solid powder
|
| Density |
1.4±0.1 g/cm3
|
| Index of Refraction |
1.591
|
| LogP |
3.78
|
| Hydrogen Bond Donor Count |
2
|
| Hydrogen Bond Acceptor Count |
10
|
| Rotatable Bond Count |
7
|
| Heavy Atom Count |
34
|
| Complexity |
847
|
| Defined Atom Stereocenter Count |
0
|
| SMILES |
CC1(CN(S(=O)(C2=CC=C(OC)C=C2)=O)C(N(S(=O)(C3=CC=C(OC)C=C3)=O)C1)C(NO)=O)C
|
| InChi Key |
MCSWSPNUKWMZHM-UHFFFAOYSA-N
|
| InChi Code |
InChI=1S/C21H27N3O8S2/c1-21(2)13-23(33(27,28)17-9-5-15(31-3)6-10-17)20(19(25)22-26)24(14-21)34(29,30)18-11-7-16(32-4)8-12-18/h5-12,20,26H,13-14H2,1-4H3,(H,22,25)
|
| Chemical Name |
N-hydroxy-1,3-bis[(4-methoxyphenyl)sulfonyl]-5,5-dimethyl-1,3-diazinane-2-carboxamide
|
| HS Tariff Code |
2934.99.9001
|
| 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)
|
| 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
|
|---|---|
| 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 | 1.9471 mL | 9.7356 mL | 19.4712 mL | |
| 5 mM | 0.3894 mL | 1.9471 mL | 3.8942 mL | |
| 10 mM | 0.1947 mL | 0.9736 mL | 1.9471 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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