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EED226

CAT: 0957-S8496-100mgSize: 100 mgDry Ice: YesHazardous: No
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CAT#:0957-S8496-100mgSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2083627-02-3
Target
Epigenetic Reader Domain
Applications
Epigenetics
Smiles
CS (=O) (=O) C1=CC=C (C=C1) C2=CN=C (N3C2=NN=C3) NCC4=CC=CO4
Molecular Formula
C17H15N5O3S
Additionnal Information
EED226 is a potent, selective, and orally bioavailable a novel allosteric Polycomb repressive complex 2 (PRC2) inhibitor with an IC50 of 23.4 nM when the H3K27me0 peptide was used as substrate and an IC50 of 53.5 nM when the mononucleosome was used as the substrate. It directly binds to the H3K27me3 binding pocket of EED.
Storage Conditions
2 years -80 in solvent

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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BA4812-5.1EED226
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MBS5770797EED226-COOH
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A20673-5EED226 5mg
A20673-25EED226 25mg
A20673-2EED226 2mg

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