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EED226

CAT: 0013-GTR19160403-05Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19160403-05Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
EED226 is a potent, selective, and orally bioavailable EED inhibitor. induces robust and sustained tumor regression in EZH2MUT preclinical DLBCL model. EED226 induces a conformational change upon binding EED, leading to loss of PRC2 activity. EED226 shows similar activity to SAM-competitive inhibitors in blocking H3K27 methylation of PRC2 target genes and inducing regression of human lymphoma xenograft tumors. Interestingly, EED226 also effectively inhibits PRC2 containing a mutant EZH2 protein resistant to SAM-competitive inhibitors. EED226 inhibits PRC2 activity via an allosteric mechanism and offers an opportunity for treatment of PRC2-dependent cancers. demonstrated very impressive antitumor activities in mouse xenograft model.
CAS Number
2083627-02-3
Product Name Alternative
EED226 | EED-226 | EED 226
Purity
>98% (HPLC)
Solubility
DMSO : ≥ 29 mg/mL. 78.51 mM; H2O : < 0.1 mg/mL
Smiles
C1 (n2c (c (cn1) c1ccc (cc1) S (=O) (=O) C) nnc2) NCc1occc1
Molecular Formula
C17H15N5O3S
Molecular Weight
369.4
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.
Other Product Names
N- (Furan-2-ylmethyl) -8- (4- (methylsulfonyl) phenyl) [1,2,4]-triazolo[4,3-c]pyrimidin-5-amine

Chemical Information

Eed226

a polycomb repressive complex 2 inhibitor; structure in first source

CAS Number2083627-02-3
PubChem CID123132228
IUPAC NameN-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine
Molecular FormulaC17H15N5O3S
Molecular Weight369.4
XLogP2.3
Topological Polar Surface Area111
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Heavy Atom Count26
Formal Charge0
Complexity575
SMILES
CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4
InChI
InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19)
InChIKey
DYIRSNMPIZZNBK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Eed226
CAS: 2083627-02-3
CID: 123132228
Formula: C17H15N5O3S
MW: 369.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight369.4
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count5
Exact Mass369.08956053
Monoisotopic Mass369.08956053
Topological Polar Surface Area111 Ų
Heavy Atom Count26
Formal Charge0
Complexity575
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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