NSC 405020

• CAT Number: I000060
• CAS Number: 7497-07-6
• Molecular Formula: C₁₂H₁₅Cl₂NO
• Molecular Weight: 260.16
• Purity: ≥95%
• Target: MMP
• Solubility: 10 mM in DMSO
• Storage: Store at RT
• IC50: > 100 uM [1]
• 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)
• InChIKey: ARDYECYBETXQFD-UHFFFAOYSA-N
• SMILES: CCCC(C)NC(=O)C1=CC(=C(C=C1)Cl)Cl

NSC-405020 is a novel small molecule inhibitor of MT1-MMP that specifically targets PEX domain rather than the catalytic domain of MT1-MMP with IC50 >100 μM and does not inhibit the catalytic activity of MT1-MMP or MMP-2.IC50 value: > 100 uM [1]Target: MT1-MMP PEX inhibitorNSC-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 dose not affect the ability of MT1-MMP to activate MMP-2 but its ability to degrade COL-I.

Reference

[1]. Remacle AG, et al. Novel MT1-MMP small-molecule inhibitors based on insights into hemopexin domain function in tumor growth. Cancer Res. 2012 May 1;72(9):2339-49.