QCP

AR-42

Created: 2019-10-16
Last modified:  2020-06-05

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Chemical Details

Formal Charge0
Atom Count43
Chiral Atom Count1
Bond Count44
Aromatic Bond Count12
2D diagram of QCP
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Chemical Component Summary

NameAR-42
SynonymsN-hydroxy-4-{[(2S)-3-methyl-2-phenylbutanoyl]amino}benzamide
Systematic Name (OpenEye OEToolkits)4-[[(2~{S})-3-methyl-2-phenyl-butanoyl]amino]-~{N}-oxidanyl-benzamide
FormulaC18 H20 N2 O3
Molecular Weight312.363
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01C(C)(C(c1ccccc1)C(Nc2ccc(C(NO)=O)cc2)=O)C
SMILESCACTVS3.385CC(C)[CH](C(=O)Nc1ccc(cc1)C(=O)NO)c2ccccc2
SMILESOpenEye OEToolkits2.0.7CC(C)C(c1ccccc1)C(=O)Nc2ccc(cc2)C(=O)NO
Canonical SMILESCACTVS3.385 CC(C)[C@H](C(=O)Nc1ccc(cc1)C(=O)NO)c2ccccc2
Canonical SMILESOpenEye OEToolkits2.0.7 CC(C)[C@@H](c1ccccc1)C(=O)Nc2ccc(cc2)C(=O)NO
InChIInChI1.03 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
InChIKeyInChI1.03 LAMIXXKAWNLXOC-INIZCTEOSA-N

Drug Info: DrugBank

DrugBank IDDB12707 
NameAR-42
Groups investigational
DescriptionAR-42 has been used in trials studying the treatment of Meningioma, Acoustic Neuroma, Testicular Lymphoma, Intraocular Lymphoma, and Vestibular Schwannoma, among others.
Synonyms
  • BENZENEACETAMIDE, N-(4-((HYDROXYAMINO)CARBONYL)PHENYL)-.ALPHA.-(1-METHYLETHYL)-, (.ALPHA.S)-
  • AR-42
  • (S)-(+)-N-HYDROXY-4-(3-METHYL-2-PHENYL-BUTYRYLAMINO)-BENZAMIDE
  • N-hydroxy-4-[[(2S)-3-methyl-2-phenylbutanoyl]amino]benzamide
  • N-Hydroxy-4-(3-methyl-2-(S)phenyl-butyrylamino)benzamide
CAS number935881-37-1

Related Resource References

Resource NameReference
Pharos CHEMBL191482
PubChem 6918848
ChEMBL CHEMBL191482