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| 5mg |
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| 25mg |
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| 50mg |
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| 100mg |
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NSC 405020 (NSC405020; NSC-405020) is a novel small molecule inhibitor of membrane type-1 matrix metalloproteinase (MT1-MMP) that targets the noncatalytic domain of MMP and may have anti-tumor effects. By directly interacting with the PEX domain of MT1-MMP and influencing PEX homodimerization, it inhibits MMP without affecting MT1-MMP's catalytic activity. With an IC50 <100 μM, it selectively targets the PEX domain of MT1-MMP instead of the catalytic domain, and it does not impede the catalytic activity of MMP-2 or MT1-MMP. NSC 405020 significantly inhibits tumor growth in vivo.
| Targets |
MMP14
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|---|---|
| ln Vitro |
NSC 405020is a noncatalytic MT1-MMP inhibitor that interacts directly with the MT1-MMP PEX domain. PEX homodimerization is impacted by NSC 405020, but MT1-MMP catalytic activity is unaffected. Cells with a high level of MT1-MMP are unable to migrate when exposed to NSC 405020 (100μM), which reduces migration efficiency by approximately 75%. NSC 405020 does not prevent cells with low MT1-MMP levels from migrating or from adhering to collagen.[1]
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| ln Vivo |
NSC 405020 (0.5 mg/kg, intratumoral injection) substantially inhibits the growth of tumors. COL-I levels rise and the tumor phenotype becomes fibrotic, ΔPEX-like, as a result of NSC 405020.[1]
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| Enzyme Assay |
Assays are carried out in the wells of a 24-well Transwell plate with an 8 μm pore size. 0.1 mL COL-I (300 μg/mL in MEGM) is applied to a 6.5-mm insert membrane, and it is allowed to air dry for 16 hours. For one hour, the collagen coating is rehydrated in 0.2 mL MEGM. As a chemoattractant, MEGM-10% FBS is present in the inner chamber. In both the inner and outer chambers, the compounds (10–100 μmol/L) or DMSO (0.1%–1%) are added. Cells (5×104) are coincubated with the compounds or DMSO in MEGM for 20 minutes prior to plating in the outer chamber. The cells have sixteen to eighteen hours to migrate. The membrane's bottom surface contains fixed and 0.2% crystal violet-stained cells. After extracting the integrated dye using 1% SDS, the A570 is measured.
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| Cell Assay |
Assays are carried out in the wells of 96-well white wall plates with a flat bottom. MCF7-β3/MT and 184B5-MT cells (5×104) are cultured in MEGM-10% FBS and DMEM-10% FBS for 16 hours, respectively. Fresh MEGM (0.1 mL per well) is added to 184B5-MT cells, and they are then incubated for a further 24 hours with the compounds (100 μM) or vehicle (1% DMSO). Fresh DMEM-10% FBS (0.1 mL per well) is added to MCF7-β3/MT cells, and they are then incubated for an extra 6 hours with the compounds (400 μM) or vehicle (2% DMSO). The ATP-Lite luminescent assay is used to count the viable cells.
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| Animal Protocol |
BALB/c nu/nu mice injected with MCF7-β3/WT and MCF7-β3/ΔPEX cells
0.5 mg/kg, 3 times per week Intratumoral injection |
| References |
| Molecular Formula |
C12H15CL2NO
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|---|---|---|
| Molecular Weight |
260.16
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| Exact Mass |
259.053
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| Elemental Analysis |
C, 55.40; H, 5.81; Cl, 27.25; N, 5.38; O, 6.15
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| CAS # |
7497-07-6
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| Related CAS # |
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| PubChem CID |
346721
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| Appearance |
White to off-white solid powder
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| Density |
1.2±0.1 g/cm3
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| Boiling Point |
353.7±32.0 °C at 760 mmHg
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| Flash Point |
167.7±25.1 °C
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| Vapour Pressure |
0.0±0.8 mmHg at 25°C
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| Index of Refraction |
1.532
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| LogP |
4.29
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| Hydrogen Bond Donor Count |
1
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| Hydrogen Bond Acceptor Count |
1
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| Rotatable Bond Count |
4
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| Heavy Atom Count |
16
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| Complexity |
235
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| Defined Atom Stereocenter Count |
0
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| SMILES |
ClC1=C(C([H])=C([H])C(=C1[H])C(N([H])C([H])(C([H])([H])[H])C([H])([H])C([H])([H])C([H])([H])[H])=O)Cl
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| InChi Key |
ARDYECYBETXQFD-UHFFFAOYSA-N
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| InChi Code |
InChI=1S/C12H15Cl2NO/c1-3-4-8(2)15-12(16)9-5-6-10(13)11(14)7-9/h5-8H,3-4H2,1-2H3,(H,15,16)
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| Chemical Name |
3,4-dichloro-N-pentan-2-ylbenzamide
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| Synonyms |
NSC 405020; NSC405020; NSC-405020
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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 |
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| 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) |
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|---|---|---|---|---|
| Solubility (In Vivo) |
Solubility in Formulation 1: ≥ 2.5 mg/mL (9.61 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. Solubility in Formulation 2: 1% DMSO+30% polyethylene glycol+1% Tween 80: 5 mg/mL (Please use freshly prepared in vivo formulations for optimal results.) |
| Preparing Stock Solutions | 1 mg | 5 mg | 10 mg | |
| 1 mM | 3.8438 mL | 19.2189 mL | 38.4379 mL | |
| 5 mM | 0.7688 mL | 3.8438 mL | 7.6876 mL | |
| 10 mM | 0.3844 mL | 1.9219 mL | 3.8438 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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