| 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 |
MMP2-IN-3 targets matrix metalloproteinases (MMPs), specifically MMP-2, MMP-8, MMP-9, and MMP-13. It has IC50 values of 31 μM for MMP-2, 32 μM for MMP-8, 26.6 μM for MMP-9, and >100,000 nM for MMP-13. By targeting MMP-2, the compound helps suppress cancer cell metastasis and tumor progression.
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| ln Vitro |
In vitro, MMP2-IN-3 inhibits MMP-2 with an IC50 of 31 μM, MMP-9 with an IC50 of 26.6 μM, and MMP-8 with an IC50 of 32 μM. It also shows inhibitory activity against MMP-13 with an IC50 greater than 100,000 nM. The compound's activity is characterized by its ability to inhibit multiple MMPs.
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| ln Vivo |
In vivo, MMP2-IN-3 is expected to show efficacy in animal models of cancer by inhibiting MMP activity and suppressing tumor progression and metastasis. It may also have therapeutic applications in fibrotic and cardiovascular diseases. However, specific in vivo efficacy data are not extensively reported.
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| Enzyme Assay |
In vitro enzyme assays for MMP2-IN-3 involve protease activity assays using purified recombinant MMP enzymes. The compound is incubated with the enzyme and a specific fluorogenic substrate. The inhibition of substrate cleavage is measured, and IC50 values are determined from dose-response curves.
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| Cell Assay |
In vitro cellular assays for MMP2-IN-3 are performed using cancer cell lines to assess its effects on cell invasion and metastasis. Cells are treated with various concentrations of the compound, and cell invasion is assessed using transwell or Matrigel invasion assays.
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| Animal Protocol |
In vivo animal studies with MMP2-IN-3 would typically be conducted in mouse models of cancer or fibrosis to evaluate its efficacy. The compound would be administered, and tumor growth, metastasis, or tissue fibrosis would be assessed. However, specific protocols are not detailed.
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| ADME/Pharmacokinetics |
The pharmacokinetic properties of MMP2-IN-3 are not extensively reported. It has a molecular weight of 355.43. Specific parameters such as oral bioavailability, half-life, and tissue distribution are not detailed.
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| Toxicity/Toxicokinetics |
The toxicity profile of MMP2-IN-3 is not extensively reported. As a research compound, it is for research use only and not for human therapeutic use. No specific toxicity data are detailed.
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| References | |
| Additional Infomation |
MMP2-IN-3 (CAS 897799-81-4, compound 2) is a potent MMP inhibitor with IC50 values of 31 μM (MMP-2), 26.6 μM (MMP-9), and 32 μM (MMP-8). It has potential applications in anti-cancer, fibrotic, and cardiovascular disease research. The compound is available for research purposes only.
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| Molecular Formula |
C23H21N3O
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|---|---|
| Molecular Weight |
355.43
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| Exact Mass |
355.168
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| CAS # |
897799-81-4
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| PubChem CID |
50754769
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| Appearance |
Off-white to light yellow solid powder
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| LogP |
4.6
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| Hydrogen Bond Donor Count |
2
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| Hydrogen Bond Acceptor Count |
2
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| Rotatable Bond Count |
5
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| Heavy Atom Count |
27
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| Complexity |
490
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| Defined Atom Stereocenter Count |
0
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| SMILES |
C1(CCC(NC2=CC=CC(C3NC4=CC(C)=CC=C4N=3)=C2)=O)=CC=CC=C1
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| InChi Key |
BCWAEMAJIICXQI-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C23H21N3O/c1-16-10-12-20-21(14-16)26-23(25-20)18-8-5-9-19(15-18)24-22(27)13-11-17-6-3-2-4-7-17/h2-10,12,14-15H,11,13H2,1H3,(H,24,27)(H,25,26)
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| Chemical Name |
N-[3-(6-methyl-1H-benzimidazol-2-yl)phenyl]-3-phenylpropanamide
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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 : ~100 mg/mL (~281.35 mM)
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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 | 2.8135 mL | 14.0675 mL | 28.1349 mL | |
| 5 mM | 0.5627 mL | 2.8135 mL | 5.6270 mL | |
| 10 mM | 0.2813 mL | 1.4067 mL | 2.8135 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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