CHEBI:191396 - (E)-N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide

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ChEBI Name (E)-N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide
ChEBI ID CHEBI:191396
ChEBI ASCII Name (E)-N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide
Definition A N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide in which the double bond adopts a trans-configuration.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C20H20BrN3O2S
Net Charge 0
Average Mass 446.360
Monoisotopic Mass 445.04596
InChI InChI=1S/C20H20BrN3O2S/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/b3-2+
InChIKey ZKZXNDJNWUTGDK-NSCUHMNNSA-N
SMILES BrC1=CC=C(\C=C\CNCCNS(=O)(=O)C2=CC=CC3=C2C=CN=C3)C=C1
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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).
(via N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (E)-N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide (CHEBI:191396) is a N-[2-(4-bromocinnamylamino)ethyl]isoquinoline-5-sulfonamide (CHEBI:47495)
IUPAC Name
N-(2-{[(2E)-3-(4-bromophenyl)prop-2-en-1-yl]amino}ethyl)isoquinoline-5-sulfonamide
Synonyms Sources
H-89 (E-isomer) ChEBI
N-[2-[[(E)-3-(4-bromophenyl)prop-2-enyl]amino]ethyl]isoquinoline-5-sulfonamide PDBeChem
Manual Xrefs Databases
395827 ChemSpider
IQB PDBeChem
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Last Modified
10 May 2022