≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Store at 2-8°C,Desiccated 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.
Elubrixin tosylate (SB-656933 tosylate) is a potent, selective, competitive, reversible and orally active CXCR2 antagonist and an IL-8 receptor antagonist. Elubrixin tosylate inhibits neutrophil CD11b upregulation ( IC 50 of 260.7 nM) and shape change ( IC 50 of 310.5 nM). Elubrixin tosylate has the potential for inflammatory diseases research, such as inflammatory bowel disease and airway inflammation
In Vitro
Elubrixin has an inhibitory effect on neutrophils in a dose-dependent fashion. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:CXCR2|IL-8
| Canonical Smiles | CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(CCN1)S(=O)(=O)C2=C(C=CC(=C2O)NC(=O)NC3=C(C(=CC=C3)F)Cl)Cl |
|---|---|
| IUPAC Name | 1-(2-chloro-3-fluorophenyl)-3-(4-chloro-2-hydroxy-3-piperazin-1-ylsulfonylphenyl)urea;4-methylbenzenesulfonic acid |
| InChIKey | CJAUWWGOABMMJX-UHFFFAOYSA-N |
| INCHI | 1S/C17H17Cl2FN4O4S.C7H8O3S/c18-10-4-5-13(23-17(26)22-12-3-1-2-11(20)14(12)19)15(25)16(10)29(27,28)24-8-6-21-7-9-24;1-6-2-4-7(5-3-6)11(8,9)10/h1-5,21,25H,6-9H2,(H2,22,23,26);2-5H,1H3,(H,8,9,10) |
| Isomeric SMILES | CC1=CC=C(C=C1)S(=O)(=O)O.C1CN(CCN1)S(=O)(=O)C2=C(C=CC(=C2O)NC(=O)NC3=C(C(=CC=C3)F)Cl)Cl |
| Alternate CAS | 960495-43-6 |
| PubChem CID | 23634419 |
| Molecular Weight | 635.51 |
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 | Benzenesulfonic acids and derivatives |
| Intermediate Tree Nodes | Not available |
| Direct Parent | p-Methylbenzenesulfonates |
| Alternative Parents | Benzenesulfonamides Tosyl compounds N-phenylureas Benzenesulfonyl compounds 1-sulfo,2-unsubstituted aromatic compounds M-chlorophenols Chlorobenzenes 1-hydroxy-4-unsubstituted benzenoids Fluorobenzenes Piperazines Organosulfonamides Aryl chlorides Aryl fluorides Sulfonyls Organosulfonic acids Ureas Azacyclic compounds Dialkylamines Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides |
| Molecular Framework | Not available |
| Substituents | P-methylbenzenesulfonate - N-phenylurea - Benzenesulfonamide - Tosyl compound - 1-sulfo,2-unsubstituted aromatic compound - Benzenesulfonyl group - Arylsulfonic acid or derivatives - 3-chlorophenol - 3-halophenol - 1-hydroxy-4-unsubstituted benzenoid - Halobenzene - Phenol - Fluorobenzene - Toluene - Chlorobenzene - Organosulfonic acid amide - Aryl chloride - Aryl fluoride - 1,4-diazinane - Aryl halide - Piperazine - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organosulfonic acid - Sulfonyl - Urea - Azacycle - Organoheterocyclic compound - Secondary aliphatic amine - Secondary amine - Organochloride - Organosulfur compound - Organooxygen compound - Amine - Organonitrogen compound - Organofluoride - Carbonyl group - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as p-methylbenzenesulfonates. These are benzenesulfonic acids (or derivative thereof) carrying a methyl group at the para- position. |
| External Descriptors | Not available |
| Solubility | DMSO : 125 mg/mL (196.69 mM; Need ultrasonic and warming) |
|---|---|
| Molecular Weight | 635.500 g/mol |
| XLogP3 | |
| Hydrogen Bond Donor Count | 5 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 5 |
| Exact Mass | 634.053 Da |
| Monoisotopic Mass | 634.053 Da |
| Topological Polar Surface Area | 182.000 Ų |
| Heavy Atom Count | 40 |
| Formal Charge | 0 |
| Complexity | 883.000 |
| 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 | 2 |
