For research use only. Not for therapeutic Use.
GSK3735967 is an selective, reversible, non-nucleoside inhibitor of DNMT1 with an IC50 value of 40 nM. GSK3735967 contains a planar dicyanopyridine core that can specifically embed DNMT1 bound hemimethylated CpG dinucleotides. GSK3735967 has three binding sites, one of which can bind to histone H4K20me3[1][2].
GSK3735967 (0.1-10000 nM) inhibits the activity of DNMT1 in a dose dependent manner[1].
| Catalog Number | I041734 |
| CAS Number | 2170136-86-2 |
| Synonyms | 2-amino-N-[[4-[[3,5-dicyano-4-ethyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-2-yl]sulfanylmethyl]phenyl]methyl]acetamide |
| Molecular Formula | C25H31N7OS |
| Purity | ≥95% |
| InChI | InChI=1S/C25H31N7OS/c1-3-20-21(13-26)24(32-10-4-9-31(2)11-12-32)30-25(22(20)14-27)34-17-19-7-5-18(6-8-19)16-29-23(33)15-28/h5-8H,3-4,9-12,15-17,28H2,1-2H3,(H,29,33) |
| InChIKey | QPLFMVVUDGWTPG-UHFFFAOYSA-N |
| SMILES | CCC1=C(C(=NC(=C1C#N)SCC2=CC=C(C=C2)CNC(=O)CN)N3CCCN(CC3)C)C#N |
| Reference | [1]. Horton JR, et al. Structural characterization of dicyanopyridine containing DNMT1-selective, non-nucleoside inhibitors. Structure. 2022 Jun 2;30(6):793-802.e5. [2]. Horton J, et al. Structural Studies of DNMT1-DNA Complexes with a Reversible Series of Dicyanopyridine Containing Selective, Non-Nucleoside Inhibitors[J]. Foundations of Crystallography, 2022, 78: a246. |
