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CHEBI:60279 - 5-[3-bromo-4-(dimethylamino)phenyl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one

ChEBI IDCHEBI:60279
ChEBI Name5-[3-bromo-4-(dimethylamino)phenyl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Stars
ASCII Name5-[3-bromo-4-(dimethylamino)phenyl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
DefinitionA partially hydrogenated benzophenanthridine carrying an oxo group at C-4, geminal methyl groups at C-2 and a 3-bromo-4-(dimethylamino)phenyl group at C-5.
Last Modified21 September 2010
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC27H27BrN2O
Net Charge0
Average Mass475.430
Monoisotopic Mass474.13068
SMILESCN(C)c1ccc(C2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)cc1Br
InChIInChI=1S/C27H27BrN2O/c1-27(2)14-19-24-18-8-6-5-7-16(18)9-11-21(24)29-26(25(19)23(31)15-27)17-10-12-22(30(3)4)20(28)13-17/h5-13,26,29H,14-15H2,1-4H3
InChIKeyNVFRRJQWRZFDLM-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 3.5.1.2 (glutaminase) inhibitor  Any EC 3.5.1.* (non-peptide linear amide C-N hydrolase) inhibitor that interferes with the activity of a glutaminase (EC 3.5.1.2) and thus the generation of glutamate from glutamine.
ChEBI Ontology
Outgoing Relation(s)
5-[3-bromo-4-(dimethylamino)phenyl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one (CHEBI:60279) has role EC 3.5.1.2 (glutaminase) inhibitor (CHEBI:60280)
5-[3-bromo-4-(dimethylamino)phenyl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one (CHEBI:60279) is a benzophenanthridine (CHEBI:38518)
IUPAC Name 
5-[3-bromo-4-(dimethylamino)phenyl]-2,2-dimethyl-2,3,5,6-tetrahydrobenzo[a]phenanthridin-4(1H)-one
Citations