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AR-42 (OSU-HDAC42)

CAT: 0607-A4104-5.1Size: 10 mM (in 1mL DMSO)Dry Ice: NoHazardous: No
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CAT#:0607-A4104-5.1Size:10 mM (in 1mL DMSO)
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
HDAC inhibitor,novel and potent
CAS Number
935881-37-1
Product Name Alternative
N-hydroxy-4-[[(2S)-3-methyl-2-phenylbutanoyl]amino]benzamide
Field of Research
Chromatin Epigenetics HDAC DNA Damage DNA Repair HDAC
Purity
0.9903
Solubility
insoluble in EtOH; insoluble in H2O; ≥15.62 mg/mL in DMSO
Smiles
CC(C)C(C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO
Molecular Formula
C18H20N2O3
Molecular Weight
312.36
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Ar-42

AR-42 is a secondary carboxamide resulting from the formal condensation of the carboxy group of (2S)-3-methyl-2-phenylbutanoic acid with the amino group of 4-amino-N-hydroxybenzamide. It is a pan-HDAC inhibitor that was in clinical development for the treatment of hematological malignancies and solid tumours. It has a role as an antineoplastic agent, an angiogenesis inhibitor, an EC 3.5.1.98 (histone deacetylase) inhibitor and an apoptosis inducer. It is a secondary carboxamide, a member of benzenes and a hydroxamic acid.

CAS Number935881-37-1
PubChem CID6918848
IUPAC NameN-hydroxy-4-[[(2S)-3-methyl-2-phenylbutanoyl]amino]benzamide
Molecular FormulaC18H20N2O3
Molecular Weight312.4
XLogP2.8
Topological Polar Surface Area78.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity397
SMILES
CC(C)[C@@H](C1=CC=CC=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO
InChI
InChI=1S/C18H20N2O3/c1-12(2)16(13-6-4-3-5-7-13)18(22)19-15-10-8-14(9-11-15)17(21)20-23/h3-12,16,23H,1-2H3,(H,19,22)(H,20,21)/t16-/m0/s1
InChIKey
LAMIXXKAWNLXOC-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of Ar-42
CAS: 935881-37-1
CID: 6918848
Formula: C18H20N2O3
MW: 312.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight312.4
XLogP32.8
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass312.14739250
Monoisotopic Mass312.14739250
Topological Polar Surface Area78.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity397
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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