HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-(3-Phenoxyphenyl)propionsure
Fenoprofen D3 · Einecs 249-770-1 · 2-(3-Phenoxyphenyl) · 3-Phenoxyhydratropic acid · Fenoprofen, racemic mixture · 2-(m-Phenoxyphenyl)propionic acid · α-Methyl-3-phenoxybenzeneacetic acid · Benzeneacetic acid, a-methyl-3-phenoxy-
Identifikatoren & physikalische Daten
| CAS No. | 29679-58-1 |
|---|---|
| Summenformel | C15H14O3 |
| Durchschnittliche Molmasse | 242,27 g/mol |
| Monoisotopische Masse | 242,09429431 g/mol |
| SMILES | CC(C(=O)O)c1cccc(Oc2ccccc2)c1 |
| InChIKey | RDJGLLICXDHJDY-UHFFFAOYSA-N |
| PubChem CID | 3342 |
| ChEMBL | CHEMBL1297 |
| ChEBI | CHEBI:5004 |
| EC No. | 249-770-1 |
| DTXSID | DTXSID9023045 |
| Lokaler Name | 2-(3-Phenoxyphenyl)propionsure |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 271 |
| LogP (Verteilungskoeffizient) | 3.13.45 |
| Color/Form | VISCOUS OIL |
| Löslichkeit | Slight (calcium salt)8.11e-02 g/LDMSO : 100 mg/mL (412.76 mMNeed ultrasonic) |
| Human Drugs | Breast FeedingLactationMilk, HumanAnalgesic AgentsAnti-inflammatory Agents, NonsteroidalPharmaceuticals |
| Siedepunkt | 168-171 °C @ 0.11 MM HG168-171 °C(Press: 0.11 Torr) |
| Schmelzpunkt | 168-171 |
| Brechungsindex | INDEX OF REFRACTION: 1.5742 @ 25 °C/D |
| Physical Description | Solid |
| Dissociation Constants | 4.5PKA= 7.3 |
| Collision Cross Section | 157.19 Ų [M+Na]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards] |
| Dichte | 1.183±0.06 g/cm3(Predicted) |
| Lagerbedingungen | Store at -20°C |
| pKa (Säurekonstante) | 4.20±0.10(Predicted) |
| Aggregatzustand | Oil to Thick Oil |
| Farbe | Colourless |
| EPA chemische Informationen | Benzeneacetic acid, ?-methyl-3-phenoxy- (29679-58-1) |
Sicherheit & Vorschriften
| Wechselwirkungen | WHEN FENOPROFEN WAS ADDED TO REGIMEN OF...PT WITH RHEUMATOID ARTHRITIS WHO WERE RECEIVING CORTICOSTEROID OR GOLD THERAPY, THERE WAS SOME EVIDENCE THAT DOSE OF STEROID COULD BE REDUCED & COMBINATION WITH GOLD WAS MORE EFFECTIVE.FOOD DELAYS ABSORPTION...& REDUCES PEAK PLASMA CONCN (ABOUT 30%) & TOTAL ABSORPTION (ABOUT 20%), AS DOES COADMIN OF...ANTACIDS./PLASMA PROTEIN/ BINDING OF FENOPROFEN IS INHIBITED BY CONCOMITANT ADMIN OF INDOMETHACIN & PHENYLBUTAZONE... PLASMA T/2 OF FENOPROFEN IS DECR BY ASPIRIN...FENPROFEN & PROPOXYPHENE ARE ADDITIVE WHEN GIVEN TOGETHER. |
|---|---|
| Hepatotoxicity | Prospective studies show that up to 15% of patients taking fenoprofen experience at least transient serum aminotransferase elevations. These elevations are generally transient, mild and asymptomatic, and may resolve even with drug continuation. Marked aminotransferase elevations (above 3 times the upper limit of normal (ULN) occur in less than 1% of patients. |
| Human Toxicity Excerpts | MOST COMMON ADVERSE REACTIONS /ORAL ADMIN/...GI EFFECTS (EG, DYSPEPSIA, CONSTIPATION, NAUSEA, VOMITING)...FEW CASES OF ULCERATION... CNS REACTIONS INCL DROWSINESS, DIZZINESS, HEADACHE, NERVOUSNESS, & CONFUSION. PRURITUS, RASH, SWEATING, PALPITATIONS, TREMOR, TINNITUS, BLURRED VISION, & DECR HEARING...SENSITIVITY TO DRUG...ELEVATIONS OF SERUM TRANSAMINASE, LACTIC DEHYDROGENASE, & ALKALINE PHOSPHATASE LEVELS...IN SOME PT. DECR IN HEMOGLOBIN & HEMATOCRIT...OCCASIONALLY. FENOPROFEN REDUCES PLATELET AGGREGATION & ADHESIVENESS & INCR BLEEDING TIME /ORAL ADMIN/..../FENOPROFEN, ORALLY/ EFFECTIVENESS IN RHEUMATOID ARTHRITIS APPEARS... COMPARABLE TO...ASPIRIN &...INCIDENCE OF GI REACTIONS & AMT OF GI BLEEDING IS LESS THAN WITH ASPIRIN....DRUGS /INCL FENOPROFEN/ HAVE BEEN ASSOC WITH FATAL GI HEMORRHAGE IN RARE CASES.For more Human Toxicity Excerpts (Complete) data for FENOPROFEN (10 total), please visit the HSDB record page. |
| Drug Induced Liver Injury | Benchmark Dataset for the Liver Toxicity Knowledge Base (LTKB)fenoprofenNalfon®NSAIDs8most-DILI-concern |
| Effects During Pregnancy and Lactation | ◉ Summary of Use during Lactation |
| Zollcode | 2918999090 |
Anwendungen & Verwendung
Verwenden
Fenoprofen is a positive allosteric modulators at melanocortin receptor 3 for treatment of inflammatory diseases in human and mouse model.