EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:73458 - NS-398

ChEBI IDCHEBI:73458
ChEBI NameNS-398
Stars
DefinitionA C-nitro compound that is N-methylsulfonyl-4-nitroaniline bearing an additional cyclohexyloxy substituent at position 2.
Last Modified25 February 2016
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC13H18N2O5S
Net Charge0
Average Mass314.363
Monoisotopic Mass314.09364
SMILESCS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1OC1CCCCC1
InChIInChI=1S/C13H18N2O5S/c1-21(18,19)14-12-8-7-10(15(16)17)9-13(12)20-11-5-3-2-4-6-11/h7-9,11,14H,2-6H2,1H3
InChIKeyKTDZCOWXCWUPEO-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Role:
cyclooxygenase 2 inhibitor  A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 2.
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
NS-398 (CHEBI:73458) has functional parent 4-nitroaniline (CHEBI:17064)
NS-398 (CHEBI:73458) has role antineoplastic agent (CHEBI:35610)
NS-398 (CHEBI:73458) has role cyclooxygenase 2 inhibitor (CHEBI:50629)
NS-398 (CHEBI:73458) is a C-nitro compound (CHEBI:35716)
NS-398 (CHEBI:73458) is a aromatic ether (CHEBI:35618)
NS-398 (CHEBI:73458) is a sulfonamide (CHEBI:35358)
IUPAC Name 
N-[2-(cyclohexyloxy)-4-nitrophenyl]methanesulfonamide
Synonyms  Source
NS 398ChemIDplus
NS398ChemIDplus
N-(2-Cyclohexyloxy-4-nitrophenyl)methanesulfonamideChemIDplus
Manual XrefsDatabases
US2010152297Patent
NS-398Wikipedia
LSM-6616LINCS
Registry NumbersSources
Reaxys:6611485Reaxys
CAS:123653-11-2ChemIDplus
Citations