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478482-75-6

478482-75-6 Structure

478482-75-6 Structure
IdentificationBack Directory
[Name]

2-THIO(3-IODOBENZYL)-5-(1-PYRIDYL)-[1,3,4]-OXADIAZOLE
[CAS]

478482-75-6
[Synonyms]

TIBPO
GSK-3 INHIBITOR II
GSK3β Inhibitor II
GSK3.beta. Inhibitor II
GLYCOGEN SYNTHASE KINASE-3 INHIBITOR II
GSK-3β Inhibitor II - CAS 478482-75-6 - Calbiochem
2-THIO(3-IODOBENZYL)-5-(1-PYRIDYL)-[1,3,4]-OXADIAZOLE
4-[5-[[(3-Iodophenyl)methyl]thio]-1,3,4-oxadiazol-2-yl]pyridine
2-[(3-iodophenyl)methylsulfanyl]-5-pyridin-4-yl-1,3,4-oxadiazole
Pyridine, 4-[5-[[(3-iodophenyl)Methyl]thio]-1,3,4-oxadiazol-2-yl]-
[Molecular Formula]

C14H10IN3OS
[MDL Number]

MFCD04974171
[MOL File]

478482-75-6.mol
[Molecular Weight]

395.22
Chemical PropertiesBack Directory
[Boiling point ]

532.6±60.0 °C(Predicted)
[density ]

1.79±0.1 g/cm3(Predicted)
[storage temp. ]

-20C
[solubility ]

≤3mg/ml in DMSO;10mg/ml in dimethyl formamide
[form ]

Yellow solid
[pka]

0.97±0.10(Predicted)
[color ]

White to off-white
Hazard InformationBack Directory
[Definition]

ChEBI: 2-[(3-iodophenyl)methylthio]-5-pyridin-4-yl-1,3,4-oxadiazole is an aryl sulfide.
[Biological Activity]

gsk-3β inhibitor ii is a gsk-3β inhibitor.glycogen synthase kinase-3 (gsk-3), a protein-serine kinase, is implicated in the hormonal control of various regulatory proteins. a number of substrates have been identified, which implicates gsk-3 in the regulation of several physiological processes. moreover, it has been reported that compounds that specifically inhibit gsk-3 activity may be useful in the treatment of diabetes.
[in vitro]

in a previous study, by using a virtual screening strategy based on a methodology derived from the cats molecular descriptor, a novel compound class including gsk-3β inhibitor ii with inhibitory activity against the gsk-3 enzyme was identified via scaffold hopping. gsk-3β inhibitor ii was found to be a potent inhibitor of gsk-3β with the ic50 value of 390 nm. however, gsk-3β inhibitor ii was not able to inhibit another gsk-3 isoform, gsk-3α [1]. another study found that gsk-3β inhibitor ii could block the functional regulation of p53 through inhibiting gsk-3β, decreasing mdm2 levels, and modulating mitochondrial p53 apoptotic signaling [2].
[IC 50]

390 nm for gsk-3β
[storage]

Store at -20°C
[References]

[1] naerum, l. ,nrskov-lauritsen, l. and olesen, p.h. scaffold hopping and optimization towards libraries of glycogen synthase kinase-3 inhibitors. bioorg.med.chem.lett. 12(11), 1525-1528 (2002).
[2] watcharasit, p. ,bijur, g.n.,song, l., et al. glycogen synthase kinase-3beta (gsk3beta) binds to and promotes the actions of p53. j.biol.chem. 278(49), 49972-48879 (2003).
Spectrum DetailBack Directory
[Spectrum Detail]

2-THIO(3-IODOBENZYL)-5-(1-PYRIDYL)-[1,3,4]-OXADIAZOLE(478482-75-6)1HNMR
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