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A-485

CAT: 0013-GTR19175495-03Size: 1 ml x 10 mM (in DMSO)Dry Ice: NoHazardous: No
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CAT#:0013-GTR19175495-03Size:1 ml x 10 mM (in DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A-485 is a potent and selective small molecule inhibitor of the p300 and CBP histone acetyltransferases, with IC50 values of 9.8 nM and 2.6 nM, respectively. It has demonstrated antitumor activity in preclinical studies, including models of hematologic cancers and androgen receptor-positive prostate cancer, in both cellular and animal experiments.
CAS Number
1889279-16-6
Product Name Alternative
CBP, CBP/p300, A485, A-485, A 485, Inhibitor, histone acetyltransferase, Histone Acetyltransferase, HistoneAcetyltransferase, HAT, HATs, Epigenetic Reader Domain, EpigeneticReaderDomain, inhibit, p300
Field of Research
Epigenetics & Chromatin
Purity
98.01% (May vary between batches)
Solubility
10% DMSO+40% PEG300+5% Tween 80+45% Saline:5 mg/mL (9.32 mM) ; DMSO:252.5 mg/mL (470.66 mM)
Smiles
CNC (=O) Nc1ccc2c (CC[C@@]22OC (=O) N (CC (=O) N (Cc3ccc (F) cc3) [C@@H] (C) C (F) (F) F) C2=O) c1
Molecular Formula
C25H24F4N4O5
Molecular Weight
536.48
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

A-485

A-485 is a potent and selective catalytic inhibitor of p300/CBP with IC50s of 9.8 nM and 2.6 nM for p300 and CBP histone acetyltransferase (HAT), respectively.

CAS Number1889279-16-6
PubChem CID118958122
IUPAC NameN-[(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
Molecular FormulaC25H24F4N4O5
Molecular Weight536.5
XLogP3.3
Topological Polar Surface Area108
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity941
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
InChI
InChI=1S/C25H24F4N4O5/c1-14(25(27,28)29)32(12-15-3-5-17(26)6-4-15)20(34)13-33-21(35)24(38-23(33)37)10-9-16-11-18(7-8-19(16)24)31-22(36)30-2/h3-8,11,14H,9-10,12-13H2,1-2H3,(H2,30,31,36)/t14-,24+/m0/s1
InChIKey
VRVJKILQRBSEAG-LFPIHBKWSA-N
Chemical Structure
2D Structure
2D structure of A-485
CAS: 1889279-16-6
CID: 118958122
Formula: C25H24F4N4O5
MW: 536.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight536.5
XLogP33.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass536.16828253
Monoisotopic Mass536.16828253
Topological Polar Surface Area108 Ų
Heavy Atom Count38
Formal Charge0
Complexity941
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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