Compound 1, ST057529, is an inhibitor of ccKDM4C, catalytic core of lysine (K)-specific demethylase 4C, with an IC50 of 13.7 µM
IDNUMBER ST057529
CAS: 331-39-5
Formula: C8H8O4
MW: 180.16
Name: Caffeic acid ; (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid
SMILES: C(/C=C\c1cc(O)c(cc1)O)(=O)O
MDL: MFCD00004392
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Fig. 1.
Reference:
Nielsen AL, Kristensen LH, et. al. Identification of catechols as histone-lysine demethylase inhibitors. FEBS Lett. 2012 Apr 24;586(8):1190-4. Epub 2012 Mar 15. doi:10.1016/j.febslet.2012.03.001
Abstract
Identification of inhibitors of histone-lysine demethylase (HDM) enzymes is important because of their involvement in the development of cancer. An ELISA-based assay was developed for identification of inhibitors of the HDM KDM4C in a natural products library. Based on one of the hits with affinity in the low µM range (1, a catechol), a subset of structurally related compounds was selected and tested against a panel of HDMs. In this subset, two inhibitors (2 and 10) had comparable affinities towards KDM4C and KDM6A but no effect on PHF8. One inhibitor restored H3K9me3 levels in KDM4C transfected U2-OS cells.
ST057529, 1, was a part of NPL (Natural Products Library) and was acquired from TimTec.
Download two files catechols and ST057529 analogs subset
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