≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C Ships Wet ice 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.
p38 MAP Kinase Inhibitor IV is a cell permeable sulfone compound which functions as an ATP-competitive inhibitor of p38α and p38β MAP Kinases. In addition, p38 MAP Kinase Inhibitor IV inhibits p38&gamma/δ, ERK1/2, and JNK1/2/3 to a lesser extent. Furthermore, studies indicate that p38 MAP Kinase Inhibitor IV suppresses LPS-induced IL-1&beta release from hPBMC more effectively than SB 203850. Since MAP Kinases are responsible for signal transduction in cascade controlling cellular responses the inhibitor can possibly be used to inhibit apoptosis and other responses to stress stimuli.
| Canonical Smiles | C1=C(C(=C(C(=C1Cl)Cl)S(=O)(=O)C2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl |
|---|---|
| IUPAC Name | 3,4,6-trichloro-2-(2,3,5-trichloro-6-hydroxyphenyl)sulfonylphenol |
| InChIKey | AKUKHICVNCCQHN-UHFFFAOYSA-N |
| INCHI | 1S/C12H4Cl6O4S/c13-3-1-5(15)9(19)11(7(3)17)23(21,22)12-8(18)4(14)2-6(16)10(12)20/h1-2,19-20H |
| Isomeric SMILES | C1=C(C(=C(C(=C1Cl)Cl)S(=O)(=O)C2=C(C(=CC(=C2Cl)Cl)Cl)O)O)Cl |
| PubChem CID | 3816490 |
| Molecular Weight | 456.94 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Benzenesulfonyl compounds |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonyl compounds |
| Alternative Parents | P-chlorophenols O-chlorophenols M-chlorophenols Chlorobenzenes Aryl chlorides Sulfones Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzenesulfonyl group - 4-halophenol - 4-chlorophenol - 3-halophenol - 2-halophenol - 3-chlorophenol - 2-chlorophenol - Chlorobenzene - Halobenzene - Phenol - Aryl chloride - Aryl halide - Sulfonyl - Sulfone - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organohalogen compound - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzenesulfonyl compounds. These are aromatic compounds containing a benzenesulfonyl group, which consists of a monocyclic benzene moiety that carries a sulfonyl group. |
| External Descriptors | Not available |
| Solubility | Soluble in DMSO. |
|---|---|
| Refractive Index | n20D1.67 (Predicted) |
| Boil Point(°C) | 590.05° C at 760 mmHg (Predicted) |
| Melt Point(°C) | 228.80° C (Predicted) |
| Molecular Weight | 456.900 g/mol |
| XLogP3 | 6.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 455.793 Da |
| Monoisotopic Mass | 453.796 Da |
| Topological Polar Surface Area | 83.000 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 488.000 |
| 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 |
