NSC 405020 | 2682

NSC-405020 is a membrane type-I matrix metalloproteinase (MT1-MMP) inhibitor that specifically targets the hemopexin (PEX) domain rather than the catalytic domain of MT1-MMP (IC₅₀ >100 μmol/L). It does not inhibit the catalytic activity of MT1-MMP or MMP-2. NSC-405020 directly interacts with and binds to PEX in a vicinity of Met-328, Arg-330, Asp-376, Met-22 and Ser-470 of the druggable pocket in the full-length MT1-MMP structure, which affects the conformation and flexibility of blades I to IV of the β-propeller resulting in the decrease of the PEX-dependent homodimerization of cellular MT1-MMP.

NSC-405020 is a membrane type-I matrix metalloproteinase (MT1-MMP) inhibitor that specifically targets the hemopexin (PEX) domain rather than the catalytic domain of MT1-MMP (IC₅₀ >100 μmol/L). It does not inhibit the catalytic activity of MT1-MMP or MMP-2. NSC-405020 directly interacts with and binds to PEX in a vicinity of Met-328, Arg-330, Asp-376, Met-22 and Ser-470 of the druggable pocket in the full-length MT1-MMP structure, which affects the conformation and flexibility of blades I to IV of the β-propeller resulting in the decrease of the PEX-dependent homodimerization of cellular MT1-MMP.

2682 | NSC 405020 DataSheet

Alternate Name/Synonyms: 3,4-Dichloro-N-(1-methylbutyl)benzamide

Appearance: Off-white solid

Formulation: N/A

CAS Number: 7497-07-6

Structure Available?: Y

Peptide sequence: N/A

Salt Form: No

Molecular Formula: C₁₂H₁₅Cl₂NO

Molecular Weight: 260.16

Cell-Permeable?: Yes

Purity: ≥98% by HPLC

Solubilities: DMSO (>25 mg/ml) or EtOH (>25 mg/ml)

Handling: Protect from air and light

Country of Origin: USA

Tag Line: A potent MT1-MMP inhibitor

MDL Number: N/A

PubChem CID: 346721

SMILES: CCCC(C)NC(=O)C1=CC(=C(C=C1)Cl)Cl

InChi: 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)

InChi Key: ARDYECYBETXQFD-UHFFFAOYSA-N