CHEBI:176422 - DPI2

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ChEBI Name DPI2
ChEBI ID CHEBI:176422
Definition A thiazolidinone that is 2-sulfanylidene-1,3-thiazolidin-4-one substituted by 3-{[3-(morpholin-4-yl)propyl]amino}-3-oxopropyl and 4-ethylbenzylidene groups at positions 3 and 5, respectively. It is a ferroptosis inducer.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C22H29N3O3S2
Net Charge 0
Average Mass 447.610
Monoisotopic Mass 447.16503
InChI InChI=1S/C22H29N3O3S2/c1-2-17-4-6-18(7-5-17)16-19-21(27)25(22(29)30-19)11-8-20(26)23-9-3-10-24-12-14-28-15-13-24/h4-7,16H,2-3,8-15H2,1H3,(H,23,26)/b19-16-
InChIKey YGWYOVIFRLGRKC-MNDPQUGUSA-N
SMILES CCC1=CC=C(\C=C2/SC(=S)N(CCC(=O)NCCCN3CCOCC3)C2=O)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 inducer
Any substance that induces or promotes ferroptosis (a type of programmed cell death dependent on iron and characterized by the accumulation of lipid peroxides) in organisms.
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ChEBI Ontology
Outgoing DPI2 (CHEBI:176422) has role ferroptosis inducer (CHEBI:173085)
DPI2 (CHEBI:176422) is a benzenes (CHEBI:22712)
DPI2 (CHEBI:176422) is a morpholines (CHEBI:38785)
DPI2 (CHEBI:176422) is a secondary carboxamide (CHEBI:140325)
DPI2 (CHEBI:176422) is a tertiary amino compound (CHEBI:50996)
DPI2 (CHEBI:176422) is a thiazolidinone (CHEBI:48891)
IUPAC Name
3-[(5Z)-5-(4-ethylbenzylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-[3-(morpholin-4-yl)propyl]propanamide
Manual Xref Database
US20150175558 Patent
View more database links
Registry Number Type Source
356572-72-0 CAS Registry Number ChEBI
Citation Waiting for Citations Type Source
32256352 PubMed citation Europe PMC
Last Modified
07 June 2021