ChemicalBook--->CAS DataBase List--->1353867-91-0

1353867-91-0

1353867-91-0 Structure

1353867-91-0 Structure
IdentificationBack Directory
[Name]

9H-Purin-6-aMine, 9-(1-Methylethyl)-N-[[3-(trifluoroMethyl)phenyl]Methyl]-
[CAS]

1353867-91-0
[Synonyms]

Reaxys ID: 25796871
9-propan-2-yl-N-[[3-(trifluoromethyl)phenyl]methyl]purin-6-amine
9H-Purin-6-aMine, 9-(1-Methylethyl)-N-[[3-(trifluoroMethyl)phenyl]Methyl]-
[EINECS(EC#)]

604-604-1
[Molecular Formula]

C16H16F3N5
[MOL File]

1353867-91-0.mol
[Molecular Weight]

335.33
Chemical PropertiesBack Directory
[Boiling point ]

447.6±55.0 °C(Predicted)
[density ]

1.35±0.1 g/cm3(Predicted)
[storage temp. ]

4°C, protect from light
[solubility ]

DMSO : 125 mg/mL (372.77 mM);Water : < 0.1 mg/mL (insoluble)
[form ]

Solid
[pka]

3.42±0.10(Predicted)
[color ]

White to off-white
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319
[Precautionary statements ]

P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard InformationBack Directory
[Uses]

Longdaysin may be used to study cell signaling th at regulate the circadian clock and behavior.
[Biological Activity]

Longdaysin inhibits CK1ERK2and CDK7 kinases in low mM concentrations. The activity of longdaysin results in a lengthening of circadian periods in cell based and in vivo systems. Transgenic zebrafish harboring a per3-luc reporter gene displayed a 10 hour lengthening of circadian period when treated with longdaysin. Longdaysin reduces the phosphorylation of PER1 the regulator of molecular clock function and manipulates the circadian clock.
[in vivo]

Longdaysin (0-9 μM; 1 week) increases circadian period in zebrafish[2].
Longdaysin (5 mg/kg, i.p., every 3 days for 3 weeks) inhibits tumor growth in MDA-MB-231 xenografts mice[3].

Animal Model:MDA-MB-231 xenografts[3]
Dosage:5 mg/kg
Administration:i.p., every 3 days for 3 weeks
Result:Decreased tumor cell density and proliferation (indicated by Ki-67).
Reduced the expression of active and total β-catenin, and decreased the expression of phosphorylated and total LRP6, phosphorylated DVL2, and active and total β-catenin.
Reduced mRNA expression of the Wnt target genes including Axin2, DKK1, LEF1, and Survivin.
[IC 50]

CKIα: 5.6 μM (IC50); CKIδ: 8.8 μM (IC50); CDK7: 29 μM (IC50); ERK2: 52 μM (IC50)
[storage]

4°C, protect from light
Spectrum DetailBack Directory
[Spectrum Detail]

9H-Purin-6-aMine, 9-(1-Methylethyl)-N-[[3-(trifluoroMethyl)phenyl]Methyl]-(1353867-91-0)1HNMR
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