≥99% 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.
KP496 is a selective, dual antagonist for Leukotriene D4 receptor and Thromboxane A2 receptor .
In Vivo
KP496 significantly inhibits acute (day 7) and chronic (day 21) lung inflammation. KP496 attenuates the number of lymphocytes on day 7 and those of macrophages, neutrophils, and eosinophils on days 7 and 21. KP496 and prednisolone significantly suppress the increase of hydroxyl-L-proline content in the lung. Compare to respective vehicle control group, the inhibition ratio of KP496 and prednisolone for increase of hydroxyl-L-proline content is about 74 and 63%, respectively . The KP496 (100 mg/head) group and prednisolone (10 mg/kg) group exhibit significant inhibition of numbers of infiltrating total cells, eosinophils, monocytes/macrophages, and lymphocytes compare with the control group. Infiltration of all types of cells except neutrophils is decreased in the KP496 (30m g/head) group, though not to significant extents. MCE has not independently confirmed the accuracy of these methods. They are for reference only.
Form:Solid
IC50& Target:LTD 4 TXA 2 Receptor
| Canonical Smiles | CC(C)C1=CSC(=N1)COC2=CC=CC(=C2)CN(CCCCNS(=O)(=O)C3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4C(=O)O |
|---|---|
| IUPAC Name | 2-[4-[(4-chlorophenyl)sulfonylamino]butyl-[[3-[(4-propan-2-yl-1,3-thiazol-2-yl)methoxy]phenyl]methyl]sulfamoyl]benzoic acid |
| InChIKey | WMMCMKVGDPXYQS-UHFFFAOYSA-N |
| INCHI | 1S/C31H34ClN3O7S3/c1-22(2)28-21-43-30(34-28)20-42-25-9-7-8-23(18-25)19-35(45(40,41)29-11-4-3-10-27(29)31(36)37)17-6-5-16-33-44(38,39)26-14-12-24(32)13-15-26/h3-4,7-15,18,21-22,33H,5-6,16-17,19-20H2,1-2H3,(H,36,37) |
| Isomeric SMILES | CC(C)C1=CSC(=N1)COC2=CC=CC(=C2)CN(CCCCNS(=O)(=O)C3=CC=C(C=C3)Cl)S(=O)(=O)C4=CC=CC=C4C(=O)O |
| Alternate CAS | 217799-03-6 |
| PubChem CID | 11578433 |
| MeSH Entry Terms | (2-(N-(4-(4-chlorobenzenesulphonylamino) butyl)-N-(3-(4-isopropylthiazol-2-yl)methoxy)benzyl)sulfamoyl)benzoic acid;KP-496 |
| Molecular Weight | 692.27 |
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 | Benzenesulfonamides |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzenesulfonamides |
| Alternative Parents | Benzenesulfonyl compounds Benzoic acids Phenoxy compounds Phenol ethers Benzoyl derivatives 2,4-disubstituted thiazoles Alkyl aryl ethers Chlorobenzenes Organosulfonamides Aryl chlorides Aminosulfonyl compounds Heteroaromatic compounds Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organochlorides |
| Molecular Framework | Aromatic heteromonocyclic compounds |
| Substituents | Benzenesulfonamide - Benzenesulfonyl group - Benzoic acid - Benzoic acid or derivatives - Phenoxy compound - Benzoyl - Phenol ether - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Organosulfonic acid amide - Organic sulfonic acid or derivatives - Thiazole - Aminosulfonyl compound - Azole - Organosulfonic acid or derivatives - Heteroaromatic compound - Sulfonyl - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organochloride - Hydrocarbon derivative - Organohalogen compound - Aromatic heteromonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring. |
| External Descriptors | Not available |
| Solubility | DMSO : 200 mg/mL (288.90 mM; Need ultrasonic) |
|---|---|
| Molecular Weight | 692.300 g/mol |
| XLogP3 | 5.800 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 16 |
| Exact Mass | 691.125 Da |
| Monoisotopic Mass | 691.125 Da |
| Topological Polar Surface Area | 188.000 Ų |
| Heavy Atom Count | 45 |
| Formal Charge | 0 |
| Complexity | 1140.000 |
| 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 |
