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AR-42

CAT: 1410-M17674-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M17674-01Size:5 mg
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Description
AR-42 is an HDAC inhibitor (IC50: 30 nM) .
CAS Number
935881-37-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
312.36
Molecular Formula
C18H20N2O3
Notes
Research use only, not for human use.
Receptor
HDAC

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...
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