ChemicalBook--->CAS DataBase List--->1440209-96-0

1440209-96-0

1440209-96-0 Structure

1440209-96-0 Structure
IdentificationBack Directory
[Name]

BRD73954
[CAS]

1440209-96-0
[Synonyms]

CS-1777
BRD73954
BRD-73954;BRD 73954
N1-hydroxy-N3-phenethylisophthalamide
N1-Hydroxy-N3-(2-phenylethyl)-1,3-benzenedicarboxamide
1,3-Benzenedicarboxamide, N1-hydroxy-N3-(2-phenylethyl)-
BRD73954, 1-N-hydroxy-3-N-(2-phenylethyl)benzene-1,3-dicarboxamide
N1-hydroxy-N3-(2-phenylethyl)-1,3-benzenedicarboxamide BRD73954
[Molecular Formula]

C16H16N2O3
[MDL Number]

MFCD26383435
[MOL File]

1440209-96-0.mol
[Molecular Weight]

284.31
Chemical PropertiesBack Directory
[Melting point ]

172-175oC
[density ]

1.245±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[solubility ]

DMSO (Slightly), Methanol (Slightly)
[form ]

Solid
[pka]

8.56±0.10(Predicted)
[color ]

Off-White
[InChI]

1S/C16H16N2O3/c19-15(17-10-9-12-5-2-1-3-6-12)13-7-4-8-14(11-13)16(20)18-21/h1-8,11,21H,9-10H2,(H,17,19)(H,18,20)
[InChIKey]

FIHKWEQJEDRIFS-UHFFFAOYSA-N
[SMILES]

ONC(C1=CC(C(NCCC2=CC=CC=C2)=O)=CC=C1)=O
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P280-P301+P312-P302+P352-P305+P351+P338
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Description]

BRD73954 is a dual inhibitor of histone deacetylase 6 (HDAC6) and HDAC8 (IC50s = 36 and 120 nM, respectively). It is selective for HDAC6 and -8 over HDAC1-5, -7, and -9 (IC50s = 12, 9, 23, >33, >33, 13, and >33 μM, respectively). BRD73954 (10 μM) increases acetylation of α-tubulin, a known HDAC6 substrate, but not histone H3, a substrate for HDAC1, -2, and -3, in HeLa cells.
[Uses]

BRD73954 is a small molecule inhibitor which has the ability to inhibit HDAC6 and HDAC8. Affects cell adhesion and mobility in cells.
[IC 50]

HDAC6: 0.036 μM (IC50); HDAC8: 0.12 μM (IC50); HDAC2: 9 μM (IC50); HDAC1: 12 μM (IC50); HDAC3: 23 μM (IC50)
[storage]

Store at +4°C
[References]

[1]. olson de, wagner ff, kaya t, et al. discovery of the first histone deacetylase 6/8 dual inhibitors. j med chem, 2013, 56(11): 4816-4820.
Spectrum DetailBack Directory
[Spectrum Detail]

BRD73954(1440209-96-0)1HNMR
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