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Chemical structure of A-485

GC32677

A-485

Also known as N-[(4-fluorophenyl)methyl]-2-[(3R)-6-(methylcarbamoylamino)-2',4'-dioxospiro[1,2-dihydroindene-3,5'-1,3-oxazolidine]-3'-yl]-N-[(2S)-1,1,1-trifluoropropan-2-yl]acetamide

A-485 is a potent and selective p300/CBP (histone acetyltransferase paralog/CREB binding protein) catalytic inhibitor with IC50 of 60nM for p300 HAT· A-485 inhibits the activity of p300-BHC (bromodomain HAT-C/H3) and CBP-BHC domains with IC50 of 9·8nM and 2·6nM, respectively

ChemicalCAS1889279-16-6MW536.48FormulaC25H24F4N4O5
CAS number
1889279-16-6
Molecular weight
536.48
Formula
C25H24F4N4O5
Solubility
DMSO ： 100 mg/mL (186·40 mM)
InChIKey
VRVJKILQRBSEAG-LFPIHBKWSA-N
Catalogue number
GC32677
Brand
GLPBIO
Computed properties PubChem CID 118958122 · XLogP 3.3 · TPSA 108 Ų · H-bond donors 2
XLogP
3.3
TPSA
108 Ų
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
38

SMILES C[C@@H](C(F)(F)F)N(CC1=CC=C(C=C1)F)C(=O)CN2C(=O)[C@]3(CCC4=C3C=CC(=C4)NC(=O)NC)OC2=O

Computed descriptors from PubChem (CID 118958122), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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