≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
PTP Inhibitor IV is an uncharged, 1,4-di-substituted, phenyl-linked bis-trifluoromethylsulfonamido (TFMS) phosphate mimetic which acts as a potent, reversible, competitive, and active-site directed inhibitor of protein tyrosine phosphatases. PTP Inhibitor IV is an inhibitor of PTP β, PTP ε, PTP μ, PTP σ, PTP-MEG, PTP1B and SH-PTP2.
| pKa | pKₐ: 4.40 (Predicted) |
|---|
| 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 |
|---|---|
| IUPAC Name | 1,1,1-trifluoro-N-[4-[2-[4-[2-[4-(trifluoromethylsulfonylamino)phenyl]propan-2-yl]phenyl]propan-2-yl]phenyl]methanesulfonamide |
| InChIKey | JWNAVYMNAQDLHX-UHFFFAOYSA-N |
| INCHI | 1S/C26H26F6N2O4S2/c1-23(2,19-9-13-21(14-10-19)33-39(35,36)25(27,28)29)17-5-7-18(8-6-17)24(3,4)20-11-15-22(16-12-20)34-40(37,38)26(30,31)32/h5-16,33-34H,1-4H3 |
| Isomeric 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 |
| PubChem CID | 6420094 |
| Molecular Weight | 608.61 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Diphenylmethanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylmethanes |
| Alternative Parents | Sulfanilides Phenylpropanes Organosulfonamides Organic sulfonamides Aminosulfonyl compounds Trihalomethanes Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Diphenylmethane - Sulfanilide - Phenylpropane - Organic sulfonic acid amide - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Trihalomethane - Alkyl fluoride - Hydrocarbon derivative - Halomethane - Organic oxide - Organic oxygen compound - Organosulfur compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organic nitrogen compound - Alkyl halide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. |
| External Descriptors | Not available |
| Solubility | Soluble in DMSO (10 mg/ml), and ACN. |
|---|---|
| Refractive Index | n20D1.56 (Predicted) |
| Boil Point(°C) | ~578.0° C at 760 mmHg (Predicted) |
| Molecular Weight | 608.600 g/mol |
| XLogP3 | 7.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 12 |
| Rotatable Bond Count | 8 |
| Exact Mass | 608.124 Da |
| Monoisotopic Mass | 608.124 Da |
| Topological Polar Surface Area | 109.000 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 968.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
