EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:83438 - 1-(5-isoquinolinesulfonyl)-2-methylpiperazine

ChEBI IDCHEBI:83438
ChEBI Name1-(5-isoquinolinesulfonyl)-2-methylpiperazine
Stars
DefinitionA member of the class of N-sulfonylpiperazines that is 2-methylpiperazine substituted at position 1 by a 5-isoquinolinesulfonyl group.
Last Modified25 February 2016
SubmitterSteve
DownloadsMolfile
FormulaC14H17N3O2S
Net Charge0
Average Mass291.376
Monoisotopic Mass291.10415
SMILESCC1CNCCN1S(=O)(=O)c1cccc2cnccc12
InChIInChI=1S/C14H17N3O2S/c1-11-9-16-7-8-17(11)20(18,19)14-4-2-3-12-10-15-6-5-13(12)14/h2-6,10-11,16H,7-9H2,1H3
InChIKeyBDVFVCGFMNCYPV-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 2.7.11.13 (protein kinase C) inhibitor  An EC 2.7.11.* (protein-serine/threonine kinase) inhibitor that interferes with the action of protein kinase C (EC 2.7.11.13).
ChEBI Ontology
Outgoing Relation(s)
1-(5-isoquinolinesulfonyl)-2-methylpiperazine (CHEBI:83438) has role EC 2.7.11.13 (protein kinase C) inhibitor (CHEBI:37700)
1-(5-isoquinolinesulfonyl)-2-methylpiperazine (CHEBI:83438) is a N-sulfonylpiperazine (CHEBI:46918)
1-(5-isoquinolinesulfonyl)-2-methylpiperazine (CHEBI:83438) is a isoquinolines (CHEBI:24922)
1-(5-isoquinolinesulfonyl)-2-methylpiperazine (CHEBI:83438) is conjugate base of 1-(5-isoquinolinesulfonyl)-2-methylpiperazine(2+) (CHEBI:83442)
Incoming Relation(s)
1-(5-isoquinolinesulfonyl)-2-methylpiperazine(2+) (CHEBI:83442) is conjugate acid of 1-(5-isoquinolinesulfonyl)-2-methylpiperazine (CHEBI:83438)
IUPAC Name 
5-[(2-methylpiperazin-1-yl)sulfonyl]isoquinoline
Synonyms  Source
H7ChemIDplus
H 7ChemIDplus
H-7ChEBI
Manual XrefsDatabases
LSM-5082LINCS
Registry NumbersSources
Reaxys:5482740Reaxys
CAS:84477-87-2ChemIDplus