| Size | Price | Stock | Qty |
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| 5mg |
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| 10mg |
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| 50mg |
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| Targets |
MMP-2/MMP-9-IN-1 targets matrix metalloproteinase-9 (MMP-9) and matrix metalloproteinase-2 (MMP-2), which are type IV collagenases involved in the degradation of extracellular matrix components. These enzymes play critical roles in tumor invasion, metastasis, and angiogenesis. The compound exhibits IC50 values of 0.24 μM for MMP-9 and 0.31 μM for MMP-2. It acts by binding to the zinc ion at the active site of these MMPs, thereby inhibiting their catalytic activity. This enzyme inhibition prevents the breakdown of the extracellular matrix, limiting tumor cell invasion and metastasis.
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| ln Vitro |
MMP-2/MMP-9-IN-1 demonstrates potent inhibition of MMP-9 (IC50 = 0.24 μM) and MMP-2 (IC50 = 0.31 μM) in enzymatic assays. It acts by binding to the zinc ion at the active site of these MMPs, thereby blocking their catalytic activity. In cell culture models, MMP-2/MMP-9-IN-1 has been shown to block MMP-2/MMP-9-dependent invasion. It is a highly selective inhibitor with oral bioavailability, making it suitable for in vivo studies. The compound is used to study the role of MMPs in cancer progression and to evaluate therapeutic strategies targeting these enzymes.
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| ln Vivo |
In vivo, MMP-2/MMP-9-IN-1 has demonstrated significant antitumor activity in animal cancer models. Both hydroxamic acid and carboxylic acid analogs of the compound were evaluated for their inhibitory activities in animal cancer models. Results showed that lung colonization of Lewis lung carcinoma cells was significantly suppressed by these inhibitors. Antitumor activity was also observed in human lung cancer models. Daily oral administration of the compound led to prolonged survival of mice bearing Ma44 peritoneal tumors. These findings support the potential of MMP-2/MMP-9-IN-1 as a therapeutic agent for cancer treatment.
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| Enzyme Assay |
The in vitro enzyme assay for MMP-2/MMP-9-IN-1 typically involves incubating recombinant human MMP-2 or MMP-9 enzyme with a fluorogenic substrate in the presence of varying concentrations of the test compound (typically 0.001-100 μM). 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 as a stock solution and diluted in assay buffer containing 50 mM Tris-HCl, 10 mM CaCl2, 150 mM NaCl, and 0.05% Brij-35, pH 7.5. Zinc binding at the active site is the proposed mechanism of inhibition.
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| Cell Assay |
In vitro cellular assays for MMP-2/MMP-9-IN-1 typically involve treating cancer cell lines (such as HT1080, MDA-MB-231, or A549) with the compound at concentrations ranging from 0.01 to 10 μM for 24-72 hours. Cell invasion and migration are assessed using Transwell or Boyden chamber assays. Cell viability is evaluated using MTT or CellTiter-Glo assays. The compound is dissolved in DMSO as a stock solution and diluted in cell culture medium, with DMSO-only treated cells serving as controls. MMP activity in conditioned media can be measured by zymography or using fluorogenic substrates.
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| Animal Protocol |
In vivo animal studies for MMP-2/MMP-9-IN-1 typically involve mouse models of cancer, such as Lewis lung carcinoma or human tumor xenografts. The compound is administered orally at doses ranging from 10 to 100 mg/kg, daily or twice daily. Tumor growth is monitored by caliper measurements, and metastasis is assessed by examining lung colonization or other metastatic sites. Blood and tissue samples are collected for pharmacokinetic and pharmacodynamic analysis. Survival studies are performed to evaluate the therapeutic benefit of the compound. Standard endpoints include tumor volume, metastatic burden, and overall survival.
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| ADME/Pharmacokinetics |
Pharmacokinetic properties of MMP-2/MMP-9-IN-1 indicate that it is orally bioavailable. The compound has a molecular weight of 381.44 g/mol and formula C21H19NO4S. It is supplied as a solid with high purity (99.98%). Recommended storage conditions are powder at -20°C for 3 years and in solvent at -80°C for 1 year. The compound is soluble in DMSO and other organic solvents. Detailed PK parameters such as half-life, Cmax, AUC, and bioavailability would require experimental determination from specific studies. The compound's oral bioavailability supports its use in in vivo efficacy studies.
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| Toxicity/Toxicokinetics |
Toxicity data for MMP-2/MMP-9-IN-1 are not extensively reported in the public domain. The compound is intended for research use only and is not approved for human therapeutic applications. As a matrix metalloproteinase inhibitor, it may have effects on normal tissue remodeling processes, which could contribute to potential toxicity. Standard preclinical toxicity assessments would include acute toxicity studies in rodents, repeated-dose toxicity studies, and assessment of off-target effects. The compound's selectivity for MMP-2 and MMP-9 may reduce the risk of toxicity associated with broad-spectrum MMP inhibitors.
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| References | |
| Additional Infomation |
MMP-2/MMP-9-IN-1 (CAS 193807-58-8) is a potent, highly selective, and orally bioavailable inhibitor of type IV collagenases (MMP-9 and MMP-2). It exhibits IC50 values of 0.24 μM for MMP-9 and 0.31 μM for MMP-2. The compound acts by binding zinc at the active site of these MMPs and blocks MMP-dependent invasion in cell culture models. In vivo, it suppresses lung colonization of Lewis lung carcinoma cells and prolongs survival in mouse tumor models. The compound is used for cancer research and is not approved for clinical use. It is also known as (R)-2-([1,1'-Biphenyl]-4-ylsulfonamido)-3-phenylpropanoic acid.
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| Molecular Formula |
C21H19NO4S
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| Molecular Weight |
381.44486
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| Exact Mass |
381.103
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| Elemental Analysis |
C, 66.12; H, 5.02; N, 3.67; O, 16.78; S, 8.40
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| CAS # |
193807-58-8
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| Related CAS # |
193807-58-8;
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| PubChem CID |
10667540
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| Appearance |
White to off-white solid powder
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| Density |
1.3±0.1 g/cm3
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| Boiling Point |
595.9±60.0 °C at 760 mmHg
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| Flash Point |
314.2±32.9 °C
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| Vapour Pressure |
0.0±1.8 mmHg at 25°C
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| Index of Refraction |
1.627
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| LogP |
4.47
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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 |
7
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| Heavy Atom Count |
27
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| Complexity |
566
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| Defined Atom Stereocenter Count |
1
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| SMILES |
C1=CC=C(C=C1)CC(C(=O)O)NS(=O)(=O)C2=CC=C(C=C2)C3=CC=CC=C3
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| InChi Key |
JBYHBQIDTNHWJF-HXUWFJFHSA-N
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| InChi Code |
InChI=1S/C21H19NO4S/c23-21(24)20(15-16-7-3-1-4-8-16)22-27(25,26)19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14,20,22H,15H2,(H,23,24)/t20-/m1/s1
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| Chemical Name |
(2R)-3-phenyl-2-[(4-phenylphenyl)sulfonylamino]propanoic acid
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| Synonyms |
MMP-2/MMP-9 inhibitor I; Matrix Metalloproteinase-2/Matrix Metalloproteinase-9 Inhibitor I; JHN07588; JHN-07588; JHN 07588;
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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 : ~50 mg/mL (~131.08 mM)
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| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (6.55 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 25.0 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: ≥ 2.5 mg/mL (6.55 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 25.0 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 | 2.6216 mL | 13.1082 mL | 26.2164 mL | |
| 5 mM | 0.5243 mL | 2.6216 mL | 5.2433 mL | |
| 10 mM | 0.2622 mL | 1.3108 mL | 2.6216 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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