| Size | Price | Stock | Qty |
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| 10mg |
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| Targets |
MMP2-IN-1 targets matrix metalloproteinase 2 (MMP2), an enzyme involved in the degradation of extracellular matrix components. MMP2 plays a critical role in tumor invasion, metastasis, and angiogenesis. The compound inhibits MMP2 with an IC50 of 6.8 μM. By inhibiting MMP2, MMP2-IN-1 may prevent the breakdown of the extracellular matrix, limiting tumor cell invasion and metastasis. The compound also exhibits antiproliferative activity against certain cancer cells.
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| ln Vitro |
MMP2-IN-1 (Compound 4a) shows IC50 values of 0.07 μM, 0.11 μM, and 0.18 μM against MDA-MB-231, A549, and HeLa cancer cells, respectively, over 10 μM of Hep 5G cells (0–10 μM; 74 hours)[1]. MMP2-IN-1 (10 μM; 24 hours) causes cell cycle arrest in the S phase [1]. In MDA-MB-231 cells, MMP2-IN-1 (0.01 μM, 0.1 μM, 1 μM, and 10 μM; 24 h) triggered dose-dependent increases of early and late apoptosis and raised the percentage of early apoptosis at 10 μM from 4.66% decreased to 10.9%[1].
MMP2-IN-1 inhibits MMP2 with an IC50 of 6.8 μM. The compound exhibits significant antiproliferative activity in certain cancer cells by arresting the cell cycle and inducing apoptosis. It shows IC50 values of 0.07 μM against MDA-MB-231 cells, 0.11 μM against A549 cells, and 0.18 μM against HeLa cells. The compound's antiproliferative effects are mediated through cell cycle arrest and apoptosis induction. MMP2-IN-1 has therapeutic potential in treating diseases where MMP2 activity contributes to disease progression. |
| ln Vivo |
At the 100 mg/kg dose lethality, 150 mg/kg, 200 mg/kg, and 250 mg/kg, respectively, MMP2-IN-1 (100 mg/kg, 150 mg/kg, 200 mg/kg, and 250 mg/kg; IP, single) caused 0%, 30%, 50%, and 60% [1]. In a metastatic 4T1 mouse breast cancer model, MMP2-IN-1 (10 mg/kg; intraperitoneally administered daily for 14 days) effectively reduces tumor growth [1].
In vivo activity data for MMP2-IN-1 are not extensively detailed in the available literature. The compound has been studied for its therapeutic potential in treating various diseases, including cancer, fibrosis, and inflammatory disorders. Given its potent antiproliferative activity in vitro, it is expected to exhibit antitumor activity in animal models. However, specific in vivo efficacy studies and animal model data are not specified in the public domain. The compound is intended for research use. |
| Enzyme Assay |
The in vitro enzyme assay for MMP2-IN-1 typically involves measuring the inhibition of MMP2 enzymatic activity using a fluorogenic substrate. Recombinant MMP2 enzyme is incubated with varying concentrations of MMP2-IN-1 (typically 0.001-100 μM) in the presence of a substrate. The enzymatic activity is measured by monitoring the increase in fluorescence upon cleavage of the substrate. The IC50 value is determined by plotting the percentage of inhibition against compound concentration. The compound is dissolved in DMSO and diluted in assay buffer.
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| Cell Assay |
Cell Proliferation Assay
Cell Types: MDA-MB-231, A549, HeLa and Hep 5G cells [1] Tested Concentrations: 0-10 μM Incubation Duration: 74 hrs (hours) Experimental Results: IC50 values against MDA are 0.07 μM, 0.11 μM and 0.18 μM - More than 10 μM in MB-231, A549 and HeLa cancer cells, and Hep 5G cells. Cell cycle analysis Cell Types: MDA-MB-231[1] Tested Concentrations: 10 μM Incubation Duration: 24 hrs (hours) Experimental Results: Induced cell cycle arrest in S phase. Apoptosis analysis Cell Types: MDA-MB-231[1] Tested Concentrations: 0.01 μM, 0.1 μM, 1 μM and 10 μM Incubation Duration: 24 hrs (hours) Experimental Results: Induced MDA- early and late cell apoptosis in a dose-dependent manner MB -231 cells, the early apoptosis percentage increased from 4.66% to 10.9% at 10 μM. In vitro cellular assays for MMP2-IN-1 typically involve treating cancer cell lines (such as MDA-MB-231, A549, HeLa, and Hep 5G) with the compound at concentrations ranging from 0.001 to 10 μM for 48-72 hours. Cell viability is assessed using MTT, CCK-8, or CellTiter-Glo assays. Cell cycle distribution is analyzed by flow cytometry after propidium iodide staining. Apoptosis is assessed using Annexin V/PI staining or caspase activity assays. The compound is dissolved in DMSO as a stock solution and diluted in cell culture medium. |
| Animal Protocol |
Animal/Disease Models: Kunming mice (n = 10, half male and half female) [1]
Doses: 100 mg/kg, 150 mg/kg, 200 mg/kg, 250 mg/kg Route of Administration: IP, single Experimental Results:None Death occurred at 30%, 50% and 60% after 100mg/kg administration, and 30%, 50% and 60% at 150mg/kg, 200mg/kg and 250mg/kg respectively. Animal/Disease Models: Orthotopic 4T1 tumor-bearing mice [1] Doses: 10 mg/kg Route of Administration: intraperitoneal (ip) injection, daily, for 14 days Experimental Results: Dramatically inhibited tumor growth in the metastatic 4T1 mouse breast cancer model. In vivo animal studies for MMP2-IN-1 are not extensively documented. For potential in vivo applications, the compound could be administered to mice via oral gavage or intraperitoneal injection at doses determined from preliminary studies. Tumor xenograft models using cancer cell lines sensitive to the compound could be used to evaluate antitumor efficacy. Tumor growth is monitored by caliper measurements. The compound's pharmacokinetics and pharmacodynamics would be evaluated in these models. |
| ADME/Pharmacokinetics |
MMP2-IN-1 has a molecular weight of 319.33 g/mol and formula C15H13NO5S. The compound is soluble in DMSO and other organic solvents. Recommended storage conditions are typically -20°C for powder and -80°C for solvent. Detailed PK parameters such as half-life, Cmax, AUC, and bioavailability would require experimental determination. The compound's molecular weight and structural features suggest it may have moderate oral bioavailability.
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| Toxicity/Toxicokinetics |
Toxicity data for MMP2-IN-1 are not extensively reported. The compound is intended for research use only and is not approved for human therapeutic applications. Standard preclinical toxicity assessments would include acute toxicity studies in rodents, repeated-dose toxicity studies, and assessment of off-target effects. As an MMP2 inhibitor, the compound may affect normal tissue remodeling processes, which could contribute to potential toxicity. Appropriate safety precautions should be taken when handling.
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| References | |
| Additional Infomation |
MMP2-IN-1 (CAS 2764598-01-6) is a moderate potency inhibitor of MMP2 with an IC50 of 6.8 μM. It has a molecular weight of 319.33 g/mol and formula C15H13NO5S. The compound exhibits significant antiproliferative activity in certain cancer cells by arresting the cell cycle and inducing apoptosis. It shows IC50 values of 0.07 μM against MDA-MB-231, 0.11 μM against A549, and 0.18 μM against HeLa cells. MMP2-IN-1 is not approved for clinical use.
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| Molecular Formula |
C15H13NO5S
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| Molecular Weight |
319.332422971725
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| Exact Mass |
319.051
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| CAS # |
2764598-01-6
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| PubChem CID |
163322399
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| Appearance |
White to off-white solid powder
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| LogP |
1.2
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| Hydrogen Bond Donor Count |
0
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| Hydrogen Bond Acceptor Count |
5
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| Rotatable Bond Count |
2
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| Heavy Atom Count |
22
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| Complexity |
634
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| Defined Atom Stereocenter Count |
0
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| SMILES |
O1C2(C=CC(=O)C=C2)N(S(C2=CC=C(C)C=C2)(=O)=O)C(=O)C1
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| InChi Key |
XXJKWYKORAOIFE-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C15H13NO5S/c1-11-2-4-13(5-3-11)22(19,20)16-14(18)10-21-15(16)8-6-12(17)7-9-15/h2-9H,10H2,1H3
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| Chemical Name |
4-(4-methylphenyl)sulfonyl-1-oxa-4-azaspiro[4.5]deca-6,9-diene-3,8-dione
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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 | 3.1316 mL | 15.6578 mL | 31.3156 mL | |
| 5 mM | 0.6263 mL | 3.1316 mL | 6.2631 mL | |
| 10 mM | 0.3132 mL | 1.5658 mL | 3.1316 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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