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Chemical structure of EED226

GC19130

EED226

Also known as N-(furan-2-ylmethyl)-8-(4-methylsulfonylphenyl)-[1,2,4]triazolo[4,3-c]pyrimidin-5-amine

EED226 is a potent, selective, and orally bioavailable embryonic ectoderm development (EED) inhibitor with an IC50 of 22 nM

ChemicalCAS2083627-02-3MW369.4FormulaC17H15N5O3S
CAS number
2083627-02-3
Molecular weight
369.4
Formula
C17H15N5O3S
Solubility
DMSO ： ≥ 29 mg/mL (78·51 mM);Water ： ＜ 0·1 mg/mL (insoluble)
InChIKey
DYIRSNMPIZZNBK-UHFFFAOYSA-N
Catalogue number
GC19130
Brand
GLPBIO
Computed properties PubChem CID 123132228 · XLogP 2.3 · TPSA 111 Ų · H-bond donors 1
XLogP
2.3
TPSA
111 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
5
Heavy atoms
26

SMILES CS(=O)(=O)C1=CC=C(C=C1)C2=CN=C(N3C2=NN=C3)NCC4=CC=CO4

Computed descriptors from PubChem (CID 123132228), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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Lead time
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Documents
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