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CHEBI:176422 - DPI2

ChEBI IDCHEBI:176422
ChEBI NameDPI2
Stars
DefinitionA 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.
Last Modified7 June 2021
SubmitterAdnan
DownloadsMolfile
FormulaC22H29N3O3S2
Net Charge0
Average Mass447.626
Monoisotopic Mass447.16503
SMILESCCc1ccc(/C=C2\SC(=S)N(CCC(=O)NCCCN3CCOCC3)C2=O)cc1
InChIInChI=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-
InChIKeyYGWYOVIFRLGRKC-MNDPQUGUSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
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.
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
US20150175558Patent
Registry NumbersSources
CAS:356572-72-0ChEBI
Citations