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BRD73954

CAT: 0804-HY-18700-02Size: 10 mM - 1 mLDry Ice: NoHazardous: No
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CAT#:0804-HY-18700-02Size:10 mM - 1 mL
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BRD73954 is a potent HDAC inhibitor and selectively inhibiting both HDAC6 and HDAC8 with IC50 values of 0.0036, 0.12, 9, 12, 23 μM for HDAC6, HDAC8, HDAC2, HDAC1 and HDAC3, respectively. BRD73954 decreases the levels of HDAC6, associated with upregulation of Ac-Tubulin[1].
CAS Number
1440209-96-0
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
HDAC
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Epigenetics
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/BRD73954.html
Purity
98.0
Solubility
DMSO : 25 mg/mL (ultrasonic)
Smiles
O=C(C1=CC=CC(C(NCCC2=CC=CC=C2)=O)=C1)NO
Molecular Formula
C16H16N2O3
Molecular Weight
284.31
Precautions
H302, H315, H319, H335
References & Citations
[1]Olson DE, et, al. Discovery of the first histone deacetylase 6/8 dual inhibitors. J Med Chem. 2013 Jun 13;56 (11) :4816-20.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
HDAC1; HDAC2; HDAC3; HDAC6; HDAC8

Chemical Information

3-N-hydroxy-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CAS Number1440209-96-0
PubChem CID71680913
IUPAC Name3-N-hydroxy-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
Molecular FormulaC16H16N2O3
Molecular Weight284.31
XLogP1.9
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count21
Formal Charge0
Complexity353
SMILES
C1=CC=C(C=C1)CCNC(=O)C2=CC(=CC=C2)C(=O)NO
InChI
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
Chemical Structure
2D Structure
2D structure of 3-N-hydroxy-1-N-(2-phenylethyl)benzene-1,3-dicarboxamide
CAS: 1440209-96-0
CID: 71680913
Formula: C16H16N2O3
MW: 284.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight284.31
XLogP31.9
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass284.11609238
Monoisotopic Mass284.11609238
Topological Polar Surface Area78.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity353
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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