2170136-86-2
Chemical Structure
GSK3735967
- CAS No.: 2170136-86-2
- Formula:C25H31N7OS
- Molecular Weight:477.62
IUPAC Name: 2-amino-N-(4-(((3,5-dicyano-4-ethyl-6-(4-methyl-1,4-diazepan-1-yl)pyridin-2-yl)thio)methyl)benzyl)acetamide
InChIKey: QPLFMVVUDGWTPG-UHFFFAOYSA-N
SMILES: N#CC1=C(SCC2=CC=C(CNC(CN)=O)C=C2)N=C(N3CCN(CCC3)C)C(C#N)=C1CC
Biological Activity: 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].
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GSK3735967 | 99.34% | 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. | ||||||||||||||||||||
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- [1]. Horton JR, et al. Structural characterization of dicyanopyridine containing DNMT1-selective, non-nucleoside inhibitors. Structure. 2022 Jun 2;30(6):793-802.e5. [Content Brief]
- [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.
Keywords
