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329317-98-8

329317-98-8 Structure

329317-98-8 Structure
IdentificationBack Directory
[Name]

PTP Inhibitor IV
[CAS]

329317-98-8
[Synonyms]

PTP Inhibitor IV
-[1,4-Phenylenebis[(1-methylethylidene)-4,1-phenylene]]bis[1,1,1]-trifluoro-methanesulfonamide
N,N'-[1,4-Phenylenebis[(1-methylethylidene)-4,1-phenylene]]bis[1,1,1]-trifluoro-methanesulfonamide
[Molecular Formula]

C26H26F6N2O4S2
[MDL Number]

MFCD06660111
[MOL File]

329317-98-8.mol
[Molecular Weight]

608.616
Chemical PropertiesBack Directory
[Boiling point ]

578.0±60.0 °C(Predicted)
[density ]

1.416±0.06 g/cm3(Predicted)
[storage temp. ]

Store at -20°C
[solubility ]

≤25mg/ml in ethanol;25mg/ml in DMSO;30mg/ml in dimethyl formamide
[form ]

crystalline solid
[pka]

4.40±0.10(Predicted)
[color ]

White to off-white
Hazard InformationBack Directory
[Uses]

N,N''-[1,4-Phenylenebis[(1-methylethylidene)-4,1-phenylene]]bis[1,1,1]-trifluoro-methanesulfonamide is an inhibitor of Protein tyrosine phosphatases (PTPs).
[Biological Activity]

ptp inhibitor iv is a protein tyrosine phosphatases (ptps) inhibitor.ptps are reported to be important in the regulation of various signal transduction processes. enzymes of this class are considered as potential therapeutic targets in the treatment of various diseases including inflammation, diabetes, as well as cancer. however, previously identified ptp inhibitors are peptide-based containing a highly charged component, which usually lack membrane permeability resulting in their limited utility in the inhibition of intracellular phosphatases.
[in vitro]

ptp inhibitor iv was identified as an uncharged, 1,4-di-substituted, phenyl-linked bis-trifluoromethylsulfonamido phosphate mimetic acting as a competitive, reversible, and active-site directed inhibitor. it was noticed that ptp inhibitor iv showed greatly increased potency not only on ptp1b but also on the phosphatases shp-2 and mu. moreover, the interaction of the second so2cf3 moiety in ptp inhibitor iv with conserved arg residue of ptp might explain the increased inhibitory potency towards other ptps in addition to ptp1b [1].
[IC 50]

1.8, 2.5, 8.4, 13, 20, 6.4, and 6.7 μm for shp-2, ptp1b, ptp-ε, ptp-meg-2, ptp-σ, ptp-β, and ptp-μ, respectively
[storage]

+4°C
[References]

[1] huang, p. ,ramphal, j.,wei, j., et al. structure-based design and discovery of novel inhibitors of protein tyrosine phosphatases. bioor.med.chem. 11, 1835-1849 (2003).
Spectrum DetailBack Directory
[Spectrum Detail]

PTP Inhibitor IV(329317-98-8)1HNMR
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