CHEBI:131488 - N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide dihydrochloride

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ChEBI Name N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide dihydrochloride
ChEBI ID CHEBI:131488
ChEBI ASCII Name N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide dihydrochloride
Definition A hydrochloride salt prepared from N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide and two equivalents of hydrogen chloride.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C20H22BrCl2N3O2S
Net Charge 0
Average Mass 519.284
Monoisotopic Mass 516.99932
InChI InChI=1S/C20H20BrN3O2S.2ClH/c21-18-8-6-16(7-9-18)3-2-11-22-13-14-24-27(25,26)20-5-1-4-17-15-23-12-10-19(17)20;;/h1-10,12,15,22,24H,11,13-14H2;2*1H
InChIKey GELOGQJVGPIKAM-UHFFFAOYSA-N
SMILES Cl.Cl.[H]C(CNCCNS(=O)(=O)C1=CC=CC2=C1C=CN=C2)=C([H])C1=CC=C(Br)C=C1
Roles Classification
Biological Role(s): EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor
An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of cAMP-dependent protein kinase (EC 2.7.11.11).
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ChEBI Ontology
Outgoing N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide dihydrochloride (CHEBI:131488) has part N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide(2+) (CHEBI:131489)
N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide dihydrochloride (CHEBI:131488) has role EC 2.7.11.11 (cAMP-dependent protein kinase) inhibitor (CHEBI:85094)
N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide dihydrochloride (CHEBI:131488) is a hydrochloride (CHEBI:36807)
IUPAC Names
5-[(2-{[3-(4-bromophenyl)prop-2-en-1-yl]azaniumyl}ethyl)sulfamoyl]isoquinolin-2-ium dichloride
N-(2-{[3-(4-bromophenyl)prop-2-en-1-yl]amino}ethyl)isoquinoline-5-sulfonamide dihydrochloride
Synonyms Sources
H-89 dihydrochloride ChEBI
H-89 hydrochloride ChEBI
H-89·2HCl ChEBI
N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide hydrochloride ChEBI
Manual Xref Database
H-89 Wikipedia
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Registry Number Type Source
8457569 Reaxys Registry Number Reaxys
Citation Waiting for Citations Type Source
26093361 PubMed citation Europe PMC
Last Modified
05 October 2020