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BRD4884

CAT: 0013-GTR19200528-01Size: 500 µgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200528-01Size:500 µg
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Description
BRD4884 is a potent and selective inhibitor of HDAC1, HDAC2, and HDAC3. It is a valuable research tool for investigating epigenetic mechanisms in models of neurological disorders, including in vitro cellular assays and in vivo animal studies.
CAS Number
1404559-91-6
Product Name Alternative
BRD4884, BRD-4884, BRD 4884
Field of Research
Epigenetics & Chromatin, Molecular Biology
Purity
99.19% (May vary between batches)
Solubility
DMSO:20 mg/mL (63.62 mM)
Smiles
O=C (NC1=CC (=CC=C1N) C=2C=CC (F) =CC2) C3CCOCC3
Molecular Formula
C18H19FN2O2
Molecular Weight
314.35
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

N-(4-Amino-4'-Fluoro[1,1'-Biphenyl]-3-Yl)oxane-4-Carboxamide

BRD4884 is a secondary carboxamide resulting from the formal condensation of the carboxy group of oxane-4-carboxylic acid with the 3-amino group of 4'-fluoro[1,1'-biphenyl]-3,4-diamine. It is a HDAC inhibitor (IC50 = 29 nM, 62 nM, and 1.09 M for HDAC1, HDAC2, and HDAC3, respectively) and has shown to enhance cognition in mouse models. It has a role as an EC 3.5.1.98 (histone deacetylase) inhibitor and a nootropic agent. It is a secondary carboxamide, a member of oxanes, a substituted aniline, a biaryl and a member of monofluorobenzenes.

CAS Number1404559-91-6
PubChem CID71465631
IUPAC NameN-[2-amino-5-(4-fluorophenyl)phenyl]oxane-4-carboxamide
Molecular FormulaC18H19FN2O2
Molecular Weight314.4
XLogP2.5
Topological Polar Surface Area64.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count23
Formal Charge0
Complexity392
SMILES
C1COCCC1C(=O)NC2=C(C=CC(=C2)C3=CC=C(C=C3)F)N
InChI
InChI=1S/C18H19FN2O2/c19-15-4-1-12(2-5-15)14-3-6-16(20)17(11-14)21-18(22)13-7-9-23-10-8-13/h1-6,11,13H,7-10,20H2,(H,21,22)
InChIKey
ZFCDNONWGMYBHA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-(4-Amino-4'-Fluoro[1,1'-Biphenyl]-3-Yl)oxane-4-Carboxamide
CAS: 1404559-91-6
CID: 71465631
Formula: C18H19FN2O2
MW: 314.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight314.4
XLogP32.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass314.14305602
Monoisotopic Mass314.14305602
Topological Polar Surface Area64.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity392
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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