NS-398 (CHEBI:73458)

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ChEBI Name	NS-398

ChEBI ID	CHEBI:73458

Definition	A C-nitro compound that is N-methylsulfonyl-4-nitroaniline bearing an additional cyclohexyloxy substituent at position 2.

Stars	This entity has been manually annotated by the ChEBI Team.

Submitter	Margaret Duesbury

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Formula

C13H18N2O5S

Net Charge

Average Mass

314.35700

Monoisotopic Mass

314.09364

InChI

InChI=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

InChIKey

KTDZCOWXCWUPEO-UHFFFAOYSA-N

SMILES

CS(=O)(=O)Nc1ccc(cc1OC1CCCCC1)[N+]([O-])=O

Roles Classification
Biological Role(s):	cyclooxygenase 2 inhibitor A cyclooxygenase inhibitor that interferes with the action of cyclooxygenase 2.

Application(s):	antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms.

ChEBI Ontology
Outgoing	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	Sources
N-(2-Cyclohexyloxy-4-nitrophenyl)methanesulfonamide	ChemIDplus
NS 398	ChemIDplus
NS398	ChemIDplus

Last Modified

25 February 2016