2-(p-Chlorphenoxy)-2-methylpropionsure

Clofibric Acid

HCID 2797CAS 882-09-7
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Grundinformationen

Standard-SMILES
CC(C)(Oc1ccc(Cl)cc1)C(=O)O
InChIKey
TXCGAZHTZHNUAI-UHFFFAOYSA-N
Summenformel
C10H11ClO3
Durchschnittliche Molmasse
214,64 g/mol
Monoisotopische Masse
214,03967189

Überblick

Clofibric acid is a monocarboxylic acid that is isobutyric acid substituted at position 2 by a p-chlorophenoxy group. It is a metabolite of the drug clofibrate. It has a role as a herbicide, an antineoplastic agent, an antilipemic drug, an anticholesteremic drug, a PPARalpha agonist and a marine xenobiotic metabolite. It is a monocarboxylic acid, an aromatic ether and a member of monochlorobenzenes. It is functionally related to an isobutyric acid.

Namen und Bezeichner

Bevorzugter Name
Clofibric Acid
IUPAC
2-(4-chlorophenoxy)-2-methylpropanoic acid
Lokaler Name
2-(p-Chlorphenoxy)-2-methylpropionsure
Englischer Name
2-(4-Chlorophenoxy)-2-methylpropionic acid
Summenformel
C10H11ClO3
Molmasse
214.65

Namen und Synonyme

clofibric acid882-09-72-(4-Chlorophenoxy)-2-methylpropanoic acid2-(4-CHLOROPHENOXY)-2-METHYLPROPIONIC ACIDChlorofibrinic acidClofibrinic acidChlorophibrinic acidChlorfibrinic acidClofibrate free acid2-(p-Chlorophenoxy)-2-methylpropionic acidClofibrinsaeure2-(p-Chlorophenoxy)isobutyric acid
Weitere Namen anzeigen
ClofibricPCIBPCPIB4-CPIBRegadrinClofibrinRegulipid
Acido clofibricoPropanoic acid, 2-(4-chlorophenoxy)-2-methyl-Acide clofibriquealpha-(p-Chlorophenoxy)isobutyric acidNSC-1149Acidum clofibricumNSC 1149p-Chlorophenoxyisobutyric Acid

Datenbank-Bezeichner

CAS
882-09-7
PubChem CID
2797
DTXSID
DTXSID1040661
ChEMBL
CHEMBL683
ChEBI
CHEBI:34648
UNII
53PF01Q249
EC Number
212-925-9
Nikkaji
J7.154D

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,6
Polarare Oberfläche (TPSA)
46,5 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
3
Schwere Atome
14

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Antilipidemic Agents
LogP2.64
Ionization Efficiency · 6 Einträge

Positive

-0.44

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

Collision Cross Section · 2 Einträge

146.6 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

149.4 Ų [M-H]-

Physikochemische Eigenschaften

Schmelzpunkt
120 · 120-122 °C(lit.)
Siedepunkt
308.11 °C · 308.11°C (rough estimate)
Dichte
1.2413 · 1.2413 (rough estimate)
Brechungsindex
1.522 · 1.5220 (estimate)
storage temp.
Sealed in dry,Room Temperature
Löslichkeit
Chloroform, Methanol

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H302 (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.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Sicherheitsdaten

wgk
3
hs_code
29189900
RTECS-Nr.
UE9455000
risk_code
22-20/21/22
hazard_code
Xn,Xi
safety_code
36-24/25

Chemie und Industrie

Pharmakologische Informationen

Metabolism/MetabolitesClofibric acid has known human metabolites that include (2S,3S,4S,5R)-6-[2-(4-Chlorophenoxy)-2-methylpropanoyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
MeSH Pharmacological Classification · 2 Einträge

Substances used to lower plasma CHOLESTEROL levels.

Substances that lower the levels of certain LIPIDS in the BLOOD. They are used to treat HYPERLIPIDEMIAS.

Anwendungen · 2 Einträge

BeschreibungClofibric 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.

VerwendenAntilipemic.

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

Ergänzende Hinweise

DefinitionChEBI: A monocarboxylic acid that is isobutyric acid substituted at position 2 by a p-chlorophenoxy group. It is a metabolite of the drug clofibrate.

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