CHEBI:73458 - NS-398

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ChEBI Name NS-398
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 0
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
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.
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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)
Synonyms Sources
N-(2-Cyclohexyloxy-4-nitrophenyl)methanesulfonamide ChemIDplus
NS 398 ChemIDplus
NS398 ChemIDplus
Manual Xrefs Databases
NS-398 Wikipedia
US2010152297 Patent
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Registry Numbers Types Sources
123653-11-2 CAS Registry Number ChemIDplus
6611485 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
22349912 PubMed citation Europe PMC
23132402 PubMed citation Europe PMC
23398724 PubMed citation Europe PMC
23456767 PubMed citation Europe PMC
23545701 PubMed citation Europe PMC
23597562 PubMed citation Europe PMC
Last Modified
25 February 2016