HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Loxoprofen
IOXOPROFEN · 2-{4-[(2-oxocyclopentyl)methyl]phenyl}propanoic acid · 2-[4-(2-OXO-CYCLOPENTYLMETHYL)-PHENYL]-PROPIONIC ACID · A-METHYL-4-[(2-OXOCYCLOPENTYL)METHYL]BENZENEACETIC ACID · KOLOXO · LOXOPROFEN · Loxoprofene · Loxoprofeno
Identifikatoren & physikalische Daten
| CAS No. | 68767-14-6 |
|---|---|
| Summenformel | C15H18O3 |
| Durchschnittliche Molmasse | 246,3 g/mol |
| Monoisotopische Masse | 246,12559444 g/mol |
| SMILES | CC(C(=O)O)c1ccc(CC2CCCC2=O)cc1 |
| InChIKey | YMBXTVYHTMGZDW-UHFFFAOYSA-N |
| PubChem CID | 3965 |
| ChEMBL | CHEMBL19299 |
| ChEBI | CHEBI:76172 |
| EC No. | 807-110-5 |
| DTXSID | DTXSID1045164 |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 54,4 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 316 |
| Arzneimittel | Pharmaceutical |
| Schmelzpunkt | 108.5-111° |
| Siedepunkt | bp0.3 190-195° |
| Dichte | 1.182±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 4.39±0.10(Predicted) |
| Farbe | White to Off-White |
| Merck | 14,5589 |
| InChI | InChI=1S/C15H18O3/c1-10(15(17)18)12-7-5-11(6-8-12)9-13-3-2-4-14(13)16/h5-8,10,13H,2-4,9H2,1H3,(H,17,18) |
| InChIKey | YMBXTVYHTMGZDW-UHFFFAOYSA-N |
| SMILES | C(C1CCCC1=O)C1C=CC(C(C)C(=O)O)=CC=1 |
| CAS Datenbank | 68767-14-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | Not Classified |
|---|---|
| Hazard Classes and Categories | Not Classified |
| Drug Induced Liver Injury | Drug-Induced Liver Injury Severity and Toxicity (DILIst)LoxoprofenDILI PositiveDOI:10.1016/j.drudis.2019.09.022 |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2918.99.3000 |
| Sicherheitshinweise (S) | 22-24/25 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Loxoprofen is a non-selective nonsteroidal anti-inflammatory drug (NSAID) that has been effective in reducing atherosclerosis in mice by reducing inflammation. Loxoprofen becomes active after metabolism in the body and inhibits the activation of cyclooxygenase.