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

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ChEBI Name 1-(5-isoquinolinesulfonyl)-2-methylpiperazine
ChEBI ID CHEBI:83438
Definition A member of the class of N-sulfonylpiperazines that is 2-methylpiperazine substituted at position 1 by a 5-isoquinolinesulfonyl group.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C14H17N3O2S
Net Charge 0
Average Mass 291.36900
Monoisotopic Mass 291.10415
InChI InChI=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
InChIKey BDVFVCGFMNCYPV-UHFFFAOYSA-N
SMILES CC1CNCCN1S(=O)(=O)c1cccc2cnccc12
Roles Classification
Biological Role(s): 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).
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ChEBI Ontology
Outgoing 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 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 Sources
H 7 ChemIDplus
H-7 ChEBI
H7 ChemIDplus
Manual Xref Database
LSM-5082 LINCS
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Registry Numbers Types Sources
5482740 Reaxys Registry Number Reaxys
84477-87-2 CAS Registry Number ChemIDplus
Last Modified
25 February 2016