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519178-28-0

519178-28-0 Structure

519178-28-0 Structure
IdentificationBack Directory
[Name]

N6-[(4-nitrophenyl)methyl]-N2-[[3-(trifluoromethyl)phenyl]methyl]-1H-Purine-2,6-diamine
[CAS]

519178-28-0
[Synonyms]

TNP
IP3K Inhibitor
IP6K Inhibitor
TNP >=95% (HPLC)
IP6K1 inhibitor TNP (TNP)
IP6K Inhibitor - CAS 519178-28-0 - Calbiochem
N2-(m-Trifluorobenzyl), N6-(p-nitrobenzyl)purine
N6-[(4-nitrophenyl)methyl]-N2-[[3-(trifluoromethyl)phenyl]methyl]-1H-Purine-2,6-diamine
N6-[(4-nitrophenyl)methyl]-N2-[[3-(trifluoromethyl)phenyl]methyl]-9H-Purine-2,6-diamine
9H-Purine-2,6-diamine, N6-[(4-nitrophenyl)methyl]-N2-[[3-(trifluoromethyl)phenyl]methyl]-
[EINECS(EC#)]

247-759-6
[Molecular Formula]

C20H16F3N7O2
[MDL Number]

MFCD16875436
[MOL File]

519178-28-0.mol
[Molecular Weight]

443.38
Chemical PropertiesBack Directory
[Boiling point ]

723.4±70.0 °C(Predicted)
[density ]

1.543±0.06 g/cm3(Predicted)
[storage temp. ]

2-8°C
[solubility ]

DMSO: ≥10mg/mL
[form ]

Yellow solid
[pka]

10.51±0.10(Predicted)
[color ]

yellow
[InChI]

1S/C20H16F3N7O2/c21-20(22,23)14-3-1-2-13(8-14)10-25-19-28-17(16-18(29-19)27-11-26-16)24-9-12-4-6-15(7-5-12)30(31)32/h1-8,11H,9-10H2,(H3,24,25,26,27,28,29)
[InChIKey]

DDSBPUYZPWNNGH-UHFFFAOYSA-N
[SMILES]

[O-][N+](=O)c1ccc(CNc2nc(NCc3cccc(c3)C(F)(F)F)nc4[nH]cnc24)cc1
Safety DataBack Directory
[Hazard Codes ]

T
[Risk Statements ]

25-36
[Safety Statements ]

26-45
[RIDADR ]

UN 2811 6.1 / PGIII
[WGK Germany ]

3
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
Hazard InformationBack Directory
[Uses]

TNP provides a means of selectively and rapidly modulating cellular InsP7 levels in vivo without affecting levels of other inositol phosphates.
[Biochem/physiol Actions]

TNP is a potent and selective IP6K inhibitor; less selective inhibitor of IP3K. Discovery of TNP as an inositol trisphosphate (IP3) kinase inhibitor was first reported in 2002, However, a recent reference shows that TNP is more potent as an IP6K inhibitor, making it valuable for study of inositol pyrophosphates.
[in vivo]

TNP (10 mg/kg; i.p.; daily; 10 weeks) significantly reduces body weight and improves insulin resistance in male C57BL/6 mice with high-fat diet-induced obesity (DIO)[1]. TNP (20 mg/kg; i.p.; daily; 18 days) decreases fat accumulation and enhances insulin sensitivity in male C57BL/6 mice with short-term reversal of obesity[1].

[storage]

Store at +4°C
Spectrum DetailBack Directory
[Spectrum Detail]

N6-[(4-nitrophenyl)methyl]-N2-[[3-(trifluoromethyl)phenyl]methyl]-1H-Purine-2,6-diamine(519178-28-0)1HNMR
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