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CHEBI:229924 - pifithrin-α hydrobromide

Default Structure
ChEBI IDCHEBI:229924
ChEBI Namepifithrin-α hydrobromide
Stars
ASCII Namepifithrin-alpha hydrobromide
DefinitionA hydrobromide salt prepared from 2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3-yl)-1-(4-methylphenyl)ethanone and one equivalent of hydrogen bromide. It is a chemical that inhibits p53-mediated gene activation and apoptosis.
Last Modified14 March 2025
SubmitterMetaboLights
DownloadsMolfile
FormulaC16H18N2OS.HBr
Net Charge0
Average Mass367.312
Monoisotopic Mass366.04015
SMILESBr.Cc1ccc(C(=O)Cn2c3c(sc2=N)CCCC3)cc1
InChIInChI=1S/C16H18N2OS.BrH/c1-11-6-8-12(9-7-11)14(19)10-18-13-4-2-3-5-15(13)20-16(18)17;/h6-9,17H,2-5,10H2,1H3;1H
InChIKeyHAGVCKULCLQGRF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) feces (BTO:0000440) MetaboLights (MTBLS9087)
Roles Classification
Biological Roles:
apoptosis inhibitor  Any substance that inhibits the process of apoptosis (programmed cell death) in multi-celled organisms.
aryl hydrocarbon receptor agonist  An agonist that binds to and activates aryl hydrocarbon receptors (AhRs).
p53 inhibitor  Any inhibitor of tumour protein p53.
Application:
hepatoprotective agent  Any compound that is able to prevent damage to the liver.
ChEBI Ontology
Outgoing Relation(s)
pifithrin-α hydrobromide (CHEBI:229924) has part 3-[2-(4-methylphenyl)-2-oxoethyl]-4,5,6,7-tetrahydro-1,3-benzothiazol-2(3H)-iminium (CHEBI:233675)
pifithrin-α hydrobromide (CHEBI:229924) has role apoptosis inhibitor (CHEBI:68494)
pifithrin-α hydrobromide (CHEBI:229924) has role aryl hydrocarbon receptor agonist (CHEBI:72768)
pifithrin-α hydrobromide (CHEBI:229924) has role hepatoprotective agent (CHEBI:62868)
pifithrin-α hydrobromide (CHEBI:229924) has role p53 inhibitor (CHEBI:232442)
pifithrin-α hydrobromide (CHEBI:229924) is a hydrobromide (CHEBI:48367)
IUPAC Name 
2-(2-imino-4,5,6,7-tetrahydro-1,3-benzothiazol-3(2H)-yl)-1-(4-methylphenyl)ethanone hydrobromide
Synonyms  Source
2-(2-imino-4,5,6,7-tetrahydrobenzothiazol-3-yl)-1-p-tolylethanone hydrobromideChEBI
PFT-αChEBI
PFTαChEBI
pifithrin-αChEBI
Manual XrefsDatabases
19952120ChemSpider
Registry NumbersSources
CAS:63208-82-2ChEBI
Citations