| Size | Price | Stock | Qty |
|---|---|---|---|
| 1mg |
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| 5mg | |||
| Other Sizes |
| Targets |
MMP-7 10 nM (IC50)
MMP-7 (IC50 = 10 nM). It is a potent and specific inhibitor of matrilysin, demonstrating over 1000-fold selectivity for MMP-7 over other MMP family members, with IC50 values of >11,000 nM (11 mM) for other MMPs. |
|---|---|
| ln Vitro |
MMP-7-IN-1 is a potent inhibitor of MMP-7 with an IC50 of 10 nM. It is highly selective for MMP-7, with IC50 values greater than 11 mM for MMP-1, -2, -3, -8, -9, and -13. This exceptional selectivity makes it an invaluable tool for dissecting the precise biological functions of MMP-7 from those of other MMP family members in complex physiological and pathological settings.
|
| ln Vivo |
In vivo activity data for MMP-7-IN-1 have not been widely reported. However, given its potent and selective inhibition of MMP-7 in vitro, the compound has potential for in vivo applications in animal models of cancer, fibrosis, and other MMP-7-driven diseases to validate MMP-7 as a therapeutic target. Future studies are needed to characterize its in vivo efficacy, pharmacokinetic properties, and safety profile.
|
| Enzyme Assay |
For non-cellular assays, purified recombinant human MMP-7 is activated and then incubated with a fluorogenic FRET peptide substrate in an assay buffer. MMP-7-IN-1 is added at concentrations ranging from 1 nM to 100 uM. The substrate is cleaved by active MMP-7, causing a fluorescence increase. The reaction is monitored continuously, and the IC50 value is calculated from the dose-response curve. Selectivity is assessed by testing the compound against other MMPs.
|
| Cell Assay |
For cell-based assays, cells that express and secrete MMP-7 (e.g., certain cancer cell lines such as HCT-116 or SW480) are treated with varying concentrations of MMP-7-IN-1 (0.1-10 uM). The conditioned media is collected after 24-48 hours, and the activity of MMP-7 in the media is measured using a FRET substrate as described above. Cell viability is also assessed using an MTT or CellTiter-Glo assay to rule out cytotoxic effects.
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| Animal Protocol |
For animal studies, MMP-7-IN-1 can be administered intraperitoneally or orally to mouse models of disease where MMP-7 is known to play a pathogenic role (e.g., models of colitis-associated cancer, pulmonary fibrosis, or renal fibrosis). Dosing regimens would need to be established. The primary endpoints include the reduction of MMP-7 activity in tissue lysates (measured by FRET assay), improvement in disease pathology (e.g., reduced tumor burden, lower fibrosis score), and an analysis of safety parameters (e.g., body weight, organ histology).
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| ADME/Pharmacokinetics |
MMP-7-IN-1 has a molecular formula of C17H17NO7S and a molecular weight of approximately 379.39 g/mol. It is typically soluble in DMSO to prepare a stock solution (e.g., 10 mM). The compound is a solid and should be stored at -20degC, protected from light. Detailed pharmacokinetic parameters (half-life, Cmax, AUC, oral bioavailability) have not been extensively reported.
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| Toxicity/Toxicokinetics |
Detailed toxicological data for MMP-7-IN-1 are not available. Given its high selectivity for MMP-7 over other proteases, the risk of off-target toxicity may be lower than for broad-spectrum MMP inhibitors. However, the potential effects of MMP-7 inhibition on normal tissue homeostasis are not fully understood. Standard safety precautions for handling research chemicals should be followed.
|
| References | |
| Additional Infomation |
MMP-7-IN-1 is an exemplary chemical probe for the specific inhibition of MMP-7, a protease that is overexpressed in many human cancers, fibrotic conditions, and inflammatory diseases. Its remarkable selectivity, >1000-fold over other MMPs, makes it a gold-standard tool for target validation studies. MMP-7 plays a role in shedding cell surface proteins and activating other proteases. It is not an approved drug and is intended for research use only.
|
| Molecular Formula |
C31H44CLF3N6O9S
|
|---|---|
| Molecular Weight |
769.23
|
| Exact Mass |
768.253
|
| CAS # |
2865097-05-6
|
| PubChem CID |
168293594
|
| Appearance |
White to off-white solid powder
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| Density |
1.353±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
|
| LogP |
2.3
|
| Hydrogen Bond Donor Count |
6
|
| Hydrogen Bond Acceptor Count |
13
|
| Rotatable Bond Count |
18
|
| Heavy Atom Count |
51
|
| Complexity |
1380
|
| Defined Atom Stereocenter Count |
4
|
| SMILES |
CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1CC(=O)N)NC(=O)CNC(=O)CC[C@@H](C(=O)O)NS(=O)(=O)C2=CC(=C(C=C2)Cl)C(F)(F)F
|
| InChi Key |
QTHGVXWBMQNWSU-CXZWWHDOSA-N
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| InChi Code |
InChI=1S/C31H44ClF3N6O9S/c1-16(2)12-23(28(45)39-27(17(3)4)29(46)41-11-5-6-18(41)13-24(36)42)38-26(44)15-37-25(43)10-9-22(30(47)48)40-51(49,50)19-7-8-21(32)20(14-19)31(33,34)35/h7-8,14,16-18,22-23,27,40H,5-6,9-13,15H2,1-4H3,(H2,36,42)(H,37,43)(H,38,44)(H,39,45)(H,47,48)/t18-,22-,23-,27-/m0/s1
|
| Chemical Name |
(2S)-5-[[2-[[(2S)-1-[[(2S)-1-[(2S)-2-(2-amino-2-oxoethyl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-2-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-5-oxopentanoic acid
|
| 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 Note: Please store this product in a sealed and protected environment (e.g. under nitrogen), avoid exposure to moisture and light. |
| 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 (130.00 mM)
|
|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (3.25 mM) (saturation unknown) in 10% DMSO + 40% PEG300 + 5% Tween-80 + 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 DMSO stock solution (25.0 mg/mL) to 400 μL of PEG300 and mix well; then add 50 μL of Tween-80 and mix well; finally add 450 μL of physiological saline and 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 (3.25 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 DMSO stock solution (25.0 mg/mL) to 900 μL of 20% SBE-β-CD saline and mix well. 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. (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 1.3000 mL | 6.5000 mL | 13.0000 mL | |
| 5 mM | 0.2600 mL | 1.3000 mL | 2.6000 mL | |
| 10 mM | 0.1300 mL | 0.6500 mL | 1.3000 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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