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CHEBI:173095 - SRS11-92

ChEBI IDCHEBI:173095
ChEBI NameSRS11-92
Stars
DefinitionAn ethyl ester resulting from the formal condensation of the carboxy group of 3-(benzylamino)-4-(cyclohexylamino)benzoic acid with ethanol. It is a potent inhibitor of ferroptosis induced by erastin in HT-1080 human fibrosarcoma cells (EC50 = 6 nM).
Last Modified26 May 2021
SubmitterAdnan
DownloadsMolfile
FormulaC22H28N2O2
Net Charge0
Average Mass352.478
Monoisotopic Mass352.21508
SMILESCCOC(=O)c1ccc(NC2CCCCC2)c(NCc2ccccc2)c1
InChIInChI=1S/C22H28N2O2/c1-2-26-22(25)18-13-14-20(24-19-11-7-4-8-12-19)21(15-18)23-16-17-9-5-3-6-10-17/h3,5-6,9-10,13-15,19,23-24H,2,4,7-8,11-12,16H2,1H3
InChIKeyVHQAJFNLPQULSV-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
ferroptosis inhibitor  Any substance that inhibits the process of ferroptosis (a type of programmed cell death dependent on iron and characterized by the accumulation of lipid peroxides) in organisms.
ChEBI Ontology
Outgoing Relation(s)
SRS11-92 (CHEBI:173095) has functional parent ferrostatin-1 (CHEBI:173086)
SRS11-92 (CHEBI:173095) has role ferroptosis inhibitor (CHEBI:173084)
SRS11-92 (CHEBI:173095) is a diamine (CHEBI:23666)
SRS11-92 (CHEBI:173095) is a ethyl ester (CHEBI:23990)
SRS11-92 (CHEBI:173095) is a secondary amino compound (CHEBI:50995)
SRS11-92 (CHEBI:173095) is a substituted aniline (CHEBI:48975)
IUPAC Name 
ethyl 3-(benzylamino)-4-(cyclohexylamino)benzoate
Synonym  Source
4-(cyclohexylamino)-3-[(phenylmethyl)amino]-benzoic acid ethyl esterChEBI
Registry NumbersSources
CAS:1467047-25-1ChEBI
Citations