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Chemical structure of OXFBD04

GC39417

OXFBD04

Also known as 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[hydroxy(pyridin-3-yl)methyl]phenol

OXFBD04 is a potent and selective BRD4 inhibitor with an IC50 of 166?nM· OXFBD04 is a potent BET bromodomain ligand with additional modest affinity for the CREBBP bromodomain· OXFBD04 has anti-cancer activity

ChemicalCAS2231747-03-6MW296.32FormulaC17H16N2O3
CAS number
2231747-03-6
Molecular weight
296.32
Formula
C17H16N2O3
Solubility
DMSO： ≥ 250 mg/mL (843·68 mM)
InChIKey
RFDVEAHRRMEOHK-UHFFFAOYSA-N
Catalogue number
GC39417
Brand
GLPBIO
Computed properties PubChem CID 145925690 · XLogP 2.2 · TPSA 79.4 Ų · H-bond donors 2
XLogP
2.2
TPSA
79.4 Ų
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
22

SMILES CC1=C(C(=NO1)C)C2=CC(=CC(=C2)O)C(C3=CN=CC=C3)O

Computed descriptors from PubChem (CID 145925690), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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