EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:101355 - IPA-3

ChEBI IDCHEBI:101355
ChEBI NameIPA-3
Stars
DefinitionAn organic disulfide obtained by oxidative dimerisation of 1-sulfanylnaphthalen-2-ol.
Secondary ChEBI IDCHEBI:95062
Last Modified1 July 2019
DownloadsMolfile
FormulaC20H14O2S2
Net Charge0
Average Mass350.464
Monoisotopic Mass350.04352
SMILESOc1ccc2ccccc2c1SSc1c(O)ccc2ccccc12
InChIInChI=1S/C20H14O2S2/c21-17-11-9-13-5-1-3-7-15(13)19(17)23-24-20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,21-22H
InChIKeyRFAXLXKIAKIUDT-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of non-specific serine/threonine protein kinase (EC 2.7.11.1), a kinase enzyme involved in phosphorylation of hydroxy group of serine or threonine.
ChEBI Ontology
Outgoing Relation(s)
IPA-3 (CHEBI:101355) has role EC 2.7.11.1 (non-specific serine/threonine protein kinase) inhibitor (CHEBI:50925)
IPA-3 (CHEBI:101355) is a naphthols (CHEBI:25392)
IPA-3 (CHEBI:101355) is a organic disulfide (CHEBI:35489)
IUPAC Name 
1,1'-disulfanediyldi(naphthalen-2-ol)
Synonyms  Source
1,1'-Dithiodi-2-naphtholChemIDplus
Bis(2-hydroxy-1-naphthyl) disulfideChemIDplus
Manual XrefsDatabases
LSM-6312LINCS
Registry NumbersSources
Reaxys:2598991Reaxys
CAS:42521-82-4ChemIDplus
Citations