RGNCY-0101 (Compound 4 PDK inhibitor)

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Compound 4 is a novel PDKs (pyruvate dehydrogenase kinases) inhibitor.  Compound 4 is a pan-isoform PDK inhibitor (EC50 = 0.42 μM) which bound to and inhibited the 4 PDK isoforms.  Compound 4 reduced pyruvate dehydrogenase complex phosphorylation in NCI-H1975 in a dose-dependent manner.  Moreover, Compound 4 was shown through molecular modelling to dock well in the ATP binding pocket of the 4 PDK isoforms.  Cell viability assays showed Compound 4 potently blocked NCI-H1975 cell proliferation (IC50 = 3.32  μM), but did not effect human normal lung cell MRC-5.  Compound 4 shows promise in the development of PDKs inhibitors in cancer treatment.

Systematic Name: (S)-2-(5-(1-benzylpiperidin-2-yl)-3-(tetrahydro-2H-pyran-4-yl)-1H-1,2,4-triazol-1-yl)ethan-1-ol

SMILES: OCCN1C([C@@H]2CCCCN2CC3=CC=CC=C3)=NC(C4CCOCC4)=N1.[S]

Formula:  C21H30N4O2

Mol Wt:  370.50

PMID:  30470491