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CHEBI:132781 - HA15

ChEBI IDCHEBI:132781
ChEBI NameHA15
Stars
DefinitionA sulfonamide resulting from the formal condensation of the sulfonic acid group of 5-(dimethylamino)naphthalene-1-sulfonic acid with the aniline nitrogen of 3-(2-acetamido-1,3-thiazol-4-yl)aniline. It has been reported that by triggering an endoplasmic reticulum (ER) stress response, HA15 can reduce the viability of melanoma cells without being toxic to normal cells.
Last Modified21 July 2016
SubmitterMargaret Duesbury
DownloadsMolfile
FormulaC23H22N4O3S2
Net Charge0
Average Mass466.588
Monoisotopic Mass466.11333
SMILESCC(=O)Nc1nc(-c2cccc(NS(=O)(=O)c3cccc4c(N(C)C)cccc34)c2)cs1
InChIInChI=1S/C23H22N4O3S2/c1-15(28)24-23-25-20(14-31-23)16-7-4-8-17(13-16)26-32(29,30)22-12-6-9-18-19(22)10-5-11-21(18)27(2)3/h4-14,26H,1-3H3,(H,24,25,28)
InChIKeyLBSMEKVVMYSTIH-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Application:
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
HA15 (CHEBI:132781) has role antineoplastic agent (CHEBI:35610)
HA15 (CHEBI:132781) is a 1,3-thiazoles (CHEBI:38418)
HA15 (CHEBI:132781) is a acetamides (CHEBI:22160)
HA15 (CHEBI:132781) is a aminonaphthalene (CHEBI:38034)
HA15 (CHEBI:132781) is a biaryl (CHEBI:64459)
HA15 (CHEBI:132781) is a sulfonamide (CHEBI:35358)
HA15 (CHEBI:132781) is a tertiary amino compound (CHEBI:50996)
IUPAC Name 
N-{4-[3-({[5-(dimethylamino)-1-naphthyl]sulfonyl}amino)phenyl]-1,3-thiazol-2-yl}acetamide
Synonyms  Source
N-(4-{3-[5-(dimethylamino)naphthalene-1-sulfonamido]phenyl}thiazol-2-yl)acetamideChEBI
HA-15ChEBI
Registry NumbersSources
Reaxys:26947881Reaxys
Citations