AR-42
N-hydroxy-4-[[(2S)-3-methyl-2-phenylbutanoyl]amino]benzamide
Molecular Identity
AR-42
N-hydroxy-4-[[(2S)-3-methyl-2-phenylbutanoyl]amino]benzamide
PubChem CID: 6918848
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.
2D Structure
Properties
C18H20N2O3
Molecular Formula
312.40
Molecular Weight
g/mol
312.1474
Exact Mass
Da
2.8
XLogP
Drug-like (Lipinski: < 5)
78.4
TPSA
Good oral absorption (< 140 A²)
3
H-Bond Donors
3
H-Bond Acceptors
397
Complexity
SMILES
Canonical SMILES
SMILES: Synonyms(20)
AR-42935881-37-1(S)-N-Hydroxy-4-(3-methyl-2-phenylbutanamido)benzamide(S)-HDAC-42OSU-HDAC42HDAC-42(S)-HDAC 42AR 42OSU-HDAC 42E0GG29V0AQRec-2282N-hydroxy-4-[[(2S)-3-methyl-2-phenylbutanoyl]amino]benzamideN-hydroxy-4-[(2S)-3-methyl-2-phenylbutanamido]benzamideN-Hydroxy-4-(3-methyl-2-(S)phenyl-butyrylamino)benzamideDTXSID4042678
Data from PubChem (NCBI)
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Drug Network
Trials and conditions connected to AR-42
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