≥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.
Lp-PLA2-IN-3 is a potent and orally bioavailable lipoprotein-associated phospholipase A2 (Lp-PLA2) inhibitor, with an IC 50 of 14 nM for recombinant human Lp-PLA2 (rhLpPLA2).
In Vivo
Lp-PLA2-IN-3 (3 mg/kg; p.o.) treatment shows the C max , AUC 0-24h , t 1/2 and F were 0.27 μg/mL, 3.4 μg h/mL, 7.7 hours and 35.5%, respectively . Lp-PLA2-IN-3 (1 mg/kg; i.v.) treatment shows the CL, Vss, and t 1/2 were 3.1mL/min/kg, 0.3 L/kg, 4 hours, respectively . MCE has not independently confirmed the accuracy of these methods. They are for reference only. Animal Model: Male Sprague−Dawley (SD) rats (180-220 g) Dosage: 3 mg/kg Administration: p.o. (Pharmacokinetic Analysis) Result: The C max , AUC 0-24h , t 1/2 and F were 0.27 μg/mL, 6.2 μg h/mL, 7.7 hours and 35.5%, respectively.
Form:Solid
| Canonical Smiles | C1=CC(=CC=C1N)S(=O)(=O)NC2=CC(=C(C=C2)OC3=CC(=C(C=C3)Cl)C(F)(F)F)C#N |
|---|---|
| IUPAC Name | 4-amino-N-[4-[4-chloro-3-(trifluoromethyl)phenoxy]-3-cyanophenyl]benzenesulfonamide |
| InChIKey | GADGQEKPNKSGMT-UHFFFAOYSA-N |
| INCHI | 1S/C20H13ClF3N3O3S/c21-18-7-4-15(10-17(18)20(22,23)24)30-19-8-3-14(9-12(19)11-25)27-31(28,29)16-5-1-13(26)2-6-16/h1-10,27H,26H2 |
| Isomeric SMILES | C1=CC(=CC=C1N)S(=O)(=O)NC2=CC(=C(C=C2)OC3=CC(=C(C=C3)Cl)C(F)(F)F)C#N |
| PubChem CID | 132427687 |
| Molecular Weight | 467.85 |
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 | Diphenylethers |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylethers |
| Alternative Parents | Diarylethers Aminobenzenesulfonamides Trifluoromethylbenzenes Sulfanilides Benzenesulfonyl compounds Phenoxy compounds Phenol ethers Benzonitriles Aniline and substituted anilines Chlorobenzenes Organosulfonamides Aryl chlorides Aminosulfonyl compounds Nitriles Primary amines Organopnictogen compounds Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl fluorides |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Diphenylether - Diaryl ether - Aminobenzenesulfonamide - Trifluoromethylbenzene - Sulfanilide - Benzenesulfonamide - Benzenesulfonyl group - Phenoxy compound - Aniline or substituted anilines - Phenol ether - Benzonitrile - Halobenzene - Chlorobenzene - Organosulfonic acid amide - Aryl halide - Aryl chloride - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Nitrile - Carbonitrile - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Organohalogen compound - Amine - Alkyl halide - Alkyl fluoride - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group. |
| External Descriptors | Not available |
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| Solubility | DMSO : ≥ 250 mg/mL (534.36 mM) |
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