PTP Inhibitor IV

Base Information

• Chemical Name: PTP Inhibitor IV
• CAS No.: 329317-98-8
• Molecular Formula: C₂₆H₂₆F₆N₂O₄S₂
• Molecular Weight: 608.626
• DSSTox Substance ID: DTXSID80880069
• Nikkaji Number: J2.748.756D
• Wikidata: Q81981442
• ChEMBL ID: CHEMBL525768
• Mol file: 329317-98-8.mol

Synonyms:PTP Inhibitor IV;329317-98-8;Protein Tyrosine Phosphatase Inhibitor IV;1,1,1-trifluoro-N-[4-[2-[4-[2-[4-(trifluoromethylsulfonylamino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]methanesulfonamide;P00031;CHEMBL525768;C26H26F6N2O4S2;DTXSID80880069;JWNAVYMNAQDLHX-UHFFFAOYSA-N;HB0539;HY-112478;CS-0046106;J-018946;N,N'-[p-Phenylenebis(dimethylmethylene-p-phenylene)]bis(trifluoromethanesulfonamide);n,n'-(1,4-phenylenebis((1-methylethylidene)-4,1-phenylene))bis[1,1,1]-trifluoromethanesulfonamide;N,N'-[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-trifluoromethanesulfonamide]

Chemical Property of PTP Inhibitor IV

Chemical Property:

• Solubility.: ≤25mg/ml in ethanol;25mg/ml in DMSO;30mg/ml in dimethyl formamide
• XLogP3: 7.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 8
• Exact Mass: 608.12381863
• Heavy Atom Count: 40
• Complexity: 968

Purity/Quality:

99% ^*data from raw suppliers

N,N''-[1,4-Phenylenebis[(1-methylethylidene)-4,1-phenylene]]bis[1,1,1]-trifluoro-methanesulfonamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC(C)(C1=CC=C(C=C1)C(C)(C)C2=CC=C(C=C2)NS(=O)(=O)C(F)(F)F)C3=CC=C(C=C3)NS(=O)(=O)C(F)(F)F
• 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).

Technology Process of PTP Inhibitor IV

There total 1 articles about PTP Inhibitor IV which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

trifluoromethylsulfonic anhydride (358-23-6) + 4,4'-(2,2-(1,4-phenylene)bis(propane-2,2-diyl))dibenzeneamine (2716-10-1) → C,C,C-trifluoro-N-[4-(1-methyl-1-{4-[1-methyl-1-(4-trifluoromethanesulfonylamino-phenyl)-ethyl]-phenyl}-ethyl)-phenyl]-methanesulfonamide (329317-98-8)

Guidance literature:

With sodium hydrogencarbonate; In dichloromethane; at 0 - 25 ℃;

DOI:10.1016/S0968-0896(03)00039-7

upstream raw materials:

trifluoromethylsulfonic anhydride

4,4'-(2,2-(1,4-phenylene)bis(propane-2,2-diyl))dibenzeneamine

Refernces