EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:90110 - Methyl violet 2B free base

Default Structure
ChEBI IDCHEBI:90110
ChEBI NameMethyl violet 2B free base
Stars
DefinitionAn imine that is 4-methylidenecyclohexa-2,5-dien-1-imine in which both the hydrogens of the methylidene group are replaced by 4-(dimethylamino)phenyl groups. The hydrochloride salt is the histological dye 'Methyl violet 2B'.
Last Modified27 October 2015
SubmitterSteve
DownloadsMolfile
FormulaC23H25N3
Net Charge0
Average Mass343.474
Monoisotopic Mass343.20485
SMILESCN(C)c1ccc(C(=C2C=CC(=N)C=C2)c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C23H25N3/c1-25(2)21-13-7-18(8-14-21)23(17-5-11-20(24)12-6-17)19-9-15-22(16-10-19)26(3)4/h5-16,24H,1-4H3
InChIKeyXYSSGYHHAUSTHC-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Biological Role:
EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor  An EC 2.7.10.* (protein-tyrosine kinase) inhibitor that specifically blocks the action of non-specific protein-tyrosine kinase (EC 2.7.10.2).
Applications:
fluorochrome  A fluorescent dye used to stain biological specimens.
histological dye  A dye used in microscopic or electron microscopic examination of cells and tissues to give contrast and to highlight particular features of interest, such as nuclei and cytoplasm.
antineoplastic agent  A substance that inhibits or prevents the proliferation of neoplasms.
ChEBI Ontology
Outgoing Relation(s)
Methyl violet 2B free base (CHEBI:90110) has role antineoplastic agent (CHEBI:35610)
Methyl violet 2B free base (CHEBI:90110) has role EC 2.7.10.2 (non-specific protein-tyrosine kinase) inhibitor (CHEBI:76617)
Methyl violet 2B free base (CHEBI:90110) has role fluorochrome (CHEBI:51217)
Methyl violet 2B free base (CHEBI:90110) has role histological dye (CHEBI:77178)
Methyl violet 2B free base (CHEBI:90110) is a imine (CHEBI:24783)
Methyl violet 2B free base (CHEBI:90110) is a substituted aniline (CHEBI:48975)
Methyl violet 2B free base (CHEBI:90110) is a tertiary amino compound (CHEBI:50996)
Methyl violet 2B free base (CHEBI:90110) is conjugate base of Methyl violet 2B(1+) (CHEBI:90111)
Incoming Relation(s)
Methyl violet 2B(1+) (CHEBI:90111) is conjugate acid of Methyl violet 2B free base (CHEBI:90110)
IUPAC Name 
4,4'-[(4-iminocyclohexa-2,5-dien-1-ylidene)methylene]bis(N,N-dimethylaniline)
Synonym  Source
N,N,N',N'-TetramethylpararosanilineChemIDplus
Registry NumbersSources
Reaxys:20341768Reaxys
CAS:133502-50-8ChemIDplus