EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:94741 - N-hydroxy-7-(naphthalen-2-ylthio)heptanamide

ChEBI IDCHEBI:94741
ChEBI NameN-hydroxy-7-(naphthalen-2-ylthio)heptanamide
Stars
ASCII NameN-hydroxy-7-(naphthalen-2-ylthio)heptanamide
DefinitionA member of the class of naphthalenes that is naphthalene substituted by a [7-(hydroxyamino)-7-oxoheptyl]sulfanediyl group at position 2. It is a histone deacetylase inhibitor that exhibits antineoplastic activity.
Last Modified3 February 2025
DownloadsMolfile
FormulaC17H21NO2S
Net Charge0
Average Mass303.427
Monoisotopic Mass303.12930
SMILESO=C(CCCCCCSc1ccc2ccccc2c1)NO
InChIInChI=1S/C17H21NO2S/c19-17(18-20)9-3-1-2-6-12-21-16-11-10-14-7-4-5-8-15(14)13-16/h4-5,7-8,10-11,13,20H,1-3,6,9,12H2,(H,18,19)
InChIKeyKPNNXHVGOKRBEF-UHFFFAOYSA-N
Roles Classification
Biological Roles:
apoptosis inducer  Any substance that induces the process of apoptosis (programmed cell death) in multi-celled organisms.
EC 3.5.1.98 (histone deacetylase) inhibitor  An EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the function of histone deacetylase (EC 3.5.1.98).
Applications:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
antifibrotic agent  Any agent which acts to reduce fibrosis.
angiogenesis inhibitor  An agent and endogenous substances that antagonize or inhibit the development of new blood vessels.
ChEBI Ontology
Outgoing Relation(s)
N-hydroxy-7-(naphthalen-2-ylthio)heptanamide (CHEBI:94741) has role angiogenesis inhibitor (CHEBI:48422)
N-hydroxy-7-(naphthalen-2-ylthio)heptanamide (CHEBI:94741) has role antifibrotic agent (CHEBI:233423)
N-hydroxy-7-(naphthalen-2-ylthio)heptanamide (CHEBI:94741) has role antineoplastic agent (CHEBI:35610)
N-hydroxy-7-(naphthalen-2-ylthio)heptanamide (CHEBI:94741) has role apoptosis inducer (CHEBI:68495)
N-hydroxy-7-(naphthalen-2-ylthio)heptanamide (CHEBI:94741) has role EC 3.5.1.98 (histone deacetylase) inhibitor (CHEBI:61115)
N-hydroxy-7-(naphthalen-2-ylthio)heptanamide (CHEBI:94741) is a aryl sulfide (CHEBI:35683)
N-hydroxy-7-(naphthalen-2-ylthio)heptanamide (CHEBI:94741) is a hydroxamic acid (CHEBI:24650)
N-hydroxy-7-(naphthalen-2-ylthio)heptanamide (CHEBI:94741) is a naphthalenes (CHEBI:25477)
IUPAC Name 
N-hydroxy-7-(naphthalen-2-ylsulfanyl)heptanamide
Synonyms  Source
HNHAChEBI
histone deacetylase inhibitor VIChEBI
N-hydroxy-7-(2-naphthalenylthio)-heptanamideChEBI
N-hydroxy-7-naphthalen-2-ylsulfanylheptanamideChEBI
N-hydroxy-7-(2-naphthylthio)heptanomideChEBI
N-hydroxy-7-(2-naphthalenylthio)heptanamideChEBI
Manual XrefsDatabases
LSM-5837LINCS
Registry NumbersSources
CAS:926908-04-5ChEBI
Citations