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CHEBI:51467 - PicoGreen

ChEBI IDCHEBI:51467
ChEBI NamePicoGreen
Stars
DefinitionA cyanine dye that is 1-phenylquinoline which is substituted at position 2 by a bis[3-(dimethylamino)propyl]amino group and at position 4 by a (3-methyl-1,3-benzothiazol-3-ium-2-yl)methylene group. The counter ion is not stated. A fluorochrome that selectively binds double-stranded DNA and has characteristics similar to that of SYBR-Green I.
Last Modified26 November 2019
SubmitterInma Spiteri
DownloadsMolfile
FormulaC34H42N5S
Net Charge+1
Average Mass552.812
Monoisotopic Mass552.31554
SMILES[H]C(=C1C=C(N(CCCN(C)C)CCCN(C)C)N(c2ccccc2)c2ccccc21)c1sc2ccccc2[n+]1C
InChIInChI=1S/C34H42N5S/c1-35(2)21-13-23-38(24-14-22-36(3)4)33-25-27(26-34-37(5)31-19-11-12-20-32(31)40-34)29-17-9-10-18-30(29)39(33)28-15-7-6-8-16-28/h6-12,15-20,25-26H,13-14,21-24H2,1-5H3/q+1
InChIKeyZYFVNVRFVHJEIU-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Applications:
dye 
ChEBI Ontology
Outgoing Relation(s)
PicoGreen (CHEBI:51467) has role fluorescent dye (CHEBI:51121)
PicoGreen (CHEBI:51467) is a benzothiazoles (CHEBI:37947)
PicoGreen (CHEBI:51467) is a cyanine dye (CHEBI:37960)
PicoGreen (CHEBI:51467) is a quinolines (CHEBI:26513)
PicoGreen (CHEBI:51467) is a tertiary amine (CHEBI:32876)
IUPAC Names 
2-{[2-{bis[3-(dimethylamino)propyl]amino}-1-phenylquinolin-4(1H)-ylidene]methyl}-3-methyl-1,3-benzothiazol-3-ium
2-{bis[3-(dimethylamino)propyl]amino}-4-[(3-methyl-1,3-benzothiazol-2(3H)-ylidene)methyl]-1-phenylquinolinium
Synonym  Source
2-[N-bis-(3-dimethylaminopropyl)-amino]-4-[2,3-dihydro-3-methyl-(benzo-1,3-thiazol-2-yl)-methylidene]-1-phenyl-quinoliniumChEBI
Registry NumbersSources
CAS:177571-06-1ChemIDplus