Tubulin/NEDDylation-IN-1

• CAT Number: I040132
• Molecular Formula: C25H32N2O5S2
• Molecular Weight: 504.66
• Purity: ≥95%
• Synonyms: [2-oxo-2-[3,4,5-trimethoxy-N-[(4-methoxyphenyl)methyl]anilino]ethyl] piperidine-1-carbodithioate
• InChI: InChI=1S/C25H32N2O5S2/c1-29-20-10-8-18(9-11-20)16-27(19-14-21(30-2)24(32-4)22(15-19)31-3)23(28)17-34-25(33)26-12-6-5-7-13-26/h8-11,14-15H,5-7,12-13,16-17H2,1-4H3
• InChIKey: MVULDWURSNKCBP-UHFFFAOYSA-N
• SMILES: COC1=CC=C(C=C1)CN(C2=CC(=C(C(=C2)OC)OC)OC)C(=O)CSC(=S)N3CCCCC3

Tubulin/NEDDylation-IN-1 (compound C11) is a dual inhibitor of tubulin (Microtubule/Tubulin)-NEDDylation (IC50 for tubulin=2.40 μM), which has strong anti-proliferative activity. Neddylation is a protein post-translational modification that covalently tags the ubiquitin-like protein NEDD8 to target proteins. Tubulin/NEDDylation-IN-1 forms hydrogen bonds with residues of tubulin and E1 NEDD8 activating enzyme (NAE) through methoxy and dithiocarbamate groups and inhibits NEDDylation and microtubulin in an ATP-dependent manner. tube polymerization[1].

Reference

[1]. Fu DJ, et al. Discovery of dual tubulin-NEDDylation inhibitors with antiproliferative activity. J Enzyme Inhib Med Chem. 2023 Dec;38(1):166-175.
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