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MAK-683 hydrochloride

CAT: 0127-BUP03112-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP03112-01Size:10 mg
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CAS Number
2170606-94-5
Purity
=98%
Smiles
FC1=CC=C2C(CCO2)=C1CNC3=NC=C(C(C=CC=N4)=C4C)C5=NN=CN35.Cl

Chemical Information

MAK-683 hydrochloride

EED Inhibitor MAK-683 Hydrochloride is the hydrochloride salt form of MAK-683, an inhibitor of embryonic ectoderm development protein (EED) and allosteric inhibitor of polycomb repressive complex 2 (PRC2), with potential antineoplastic activity. Upon administration, MAK683 selectively binds to the domain of EED that interacts with trimethylated lysine 27 on histone 3 (H3K27me3), which leads to a conformational change in the EED H3K27me3-binding pocket and prevents the interaction of EED with the histone methyltransferase enhancer zeste homolog 2 (EZH2). Disruption of the EED-EZH2 protein-protein interaction (PPI) results in a loss of H3K27me3-stimulated PRC2 activity and prevents H3K27 trimethylation. This decrease in histone methylation alters gene expression patterns associated with cancer pathways and results in decreased tumor cell proliferation in EZH2-mutated and PRC2-dependent cancer cells. PRC2, a histone H3 lysine 27 methyltransferase and multi-protein complex comprised of EZH2, EED and suppressor of zeste 12 (SUZ12), plays a key role in gene regulation, especially during embryonic development. EZH2, the catalytic subunit of PRC2, is overexpressed or mutated in a variety of cancer cells. EED is essential for the histone methyltransferase activity of PRC2 because EED directly binds to H3K27me3.

CAS Number2170606-94-5
PubChem CID138734886
IUPAC NameN-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine;hydrochloride
Molecular FormulaC20H18ClFN6O
Molecular Weight412.8
Topological Polar Surface Area77.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Heavy Atom Count29
Formal Charge0
Complexity541
SMILES
CC1=C(C=CC=N1)C2=CN=C(N3C2=NN=C3)NCC4=C(C=CC5=C4CCO5)F.Cl
InChI
InChI=1S/C20H17FN6O.ClH/c1-12-13(3-2-7-22-12)16-10-24-20(27-11-25-26-19(16)27)23-9-15-14-6-8-28-18(14)5-4-17(15)21;/h2-5,7,10-11H,6,8-9H2,1H3,(H,23,24);1H
InChIKey
YHAMPXCHEHVBSA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of MAK-683 hydrochloride
CAS: 2170606-94-5
CID: 138734886
Formula: C20H18ClFN6O
MW: 412.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count4
Exact Mass412.1214651
Monoisotopic Mass412.1214651
Topological Polar Surface Area77.2 Ų
Heavy Atom Count29
Formal Charge0
Complexity541
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
T9681-01MAK-683 hydrochloride
B1972-5MAK-683
MBS5786490MAK-683 hyrochloride
A16922-100MAK-683 100mg
A16922-50MAK-683 50mg
A16922-25MAK-683 25mg
A16922-10MAK-683 10mg
A16922-5MAK-683 5mg
A16922-1MAK-683 1mg
A16922-500MAK-683 500mg

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