2-(p-Chlorphenoxy)-2-methylpropionsure
CLOFIBRIC ACID · Clofibric · 2-(4-CHLOROPHENOXY)-2-METHYLPROPANOIC ACID · 2-(P-CHLOROPHENOXY)-2-METHYLPROPIONIC ACID · PCIB · PCPIB · 4-CPIB · Regadrin
Identifikatoren & physikalische Daten
| CAS No. | 882-09-7 |
|---|---|
| Summenformel | C10H11ClO3 |
| Durchschnittliche Molmasse | 214,64 g/mol |
| Monoisotopische Masse | 214,03967189 g/mol |
| SMILES | CC(C)(Oc1ccc(Cl)cc1)C(=O)O |
| InChIKey | TXCGAZHTZHNUAI-UHFFFAOYSA-N |
| PubChem CID | 2797 |
| ChEMBL | CHEMBL683 |
| ChEBI | CHEBI:34648 |
| EC No. | 212-925-9 |
| DTXSID | DTXSID1040661 |
| Lokaler Name | 2-(p-Chlorphenoxy)-2-methylpropionsure |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 207 |
| Arzneimittel | Pharmaceuticals -> Antilipidemic Agents |
| LogP (Verteilungskoeffizient) | 2.64 |
| Ionization Efficiency | Positive-0.442.7Agilent XCTElectrospray ionizationformic acid (5.3nM) |
| Collision Cross Section | 146.6 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]149.4 Ų [M-H]- |
| Schmelzpunkt | 120-122 °C(lit.) |
| Siedepunkt | 308.11°C (rough estimate) |
| Dichte | 1.2413 (rough estimate) |
| Brechungsindex | 1.5220 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform, Methanol |
| Aggregatzustand | Crystals or Crystalline Powder |
| pKa (Säurekonstante) | 3.18±0.10(Predicted) |
| Farbe | Pale yellow to brownish |
| Merck | 14,2378 |
| BRN | 1874067 |
| InChI | 1S/C10H11ClO3/c1-10(2,9(12)13)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H,12,13) |
| InChIKey | TXCGAZHTZHNUAI-UHFFFAOYSA-N |
| SMILES | CC(C)(Oc1ccc(Cl)cc1)C(O)=O |
| CAS Datenbank | 882-09-7(CAS DataBase Reference) |
| NIST chemische Informationen | Clofibric acid(882-09-7) |
| EPA chemische Informationen | Propanoic acid, 2-(4-chlorophenoxy)-2-methyl- (882-09-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29189900 |
| RTECS-Nr. | UE9455000 |
| R-Sätze (R) | 22-20/21/22 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 36-24/25 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 Oral |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Beschreibung
Clofibric acid is a peroxisome proliferator-activated receptor α (PPARα) agonist (EC50 = 50 μM in a transactivation assay) and the active metabolite of clofibrate . It is formed from clofibrate by tissue and serum esterases. Dietary administration of clofibric acid (0.067-0.22%) reduces serum cholesterol, phospholipid, and triglyceride levels in rats. It decreases glutamate oxaloacetate transaminase (GOT) levels and increases glutamate pyruvate transaminase (GPT) and lactate dehydrogenase (LDH) levels, markers of xenobiotic stress, in the plasma of carp (C. carpio) when administered in tank water at a concentration of 10 μg/L. Clofibric acid has been found in wastewater effluent.
Verwenden
Antilipemic.