SRS11-92 (CHEBI:173095)

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ChEBI Name	SRS11-92

ChEBI ID	CHEBI:173095

Definition	An 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).

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

Supplier Information

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Formula

C22H28N2O2

Net Charge

Average Mass

352.478

Monoisotopic Mass

352.21508

InChI

InChI=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

InChIKey

VHQAJFNLPQULSV-UHFFFAOYSA-N

SMILES

CCOC(=O)C1=CC(NCC2=CC=CC=C2)=C(NC2CCCCC2)C=C1

Roles Classification
Chemical Role(s):	Bronsted base A molecular entity capable of accepting a hydron from a donor (Bronsted acid). (via organic amino compound )

Biological Role(s):	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	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 ester	ChEBI

Registry Number	Type	Source
1467047-25-1	CAS Registry Number	ChEBI

Citation	Type	Source
30635474	PubMed citation	Europe PMC

Last Modified

26 May 2021