Clofibric Acid
CLOFIBRIC ACID · Clofibric · 2-(4-CHLOROPHENOXY)-2-METHYLPROPANOIC ACID · 2-(P-CHLOROPHENOXY)-2-METHYLPROPIONIC ACID · PCIB · PCPIB · 4-CPIB · Regadrin
식별자 및 물리적 특성
| CAS No. | 882-09-7 |
|---|---|
| 분자식 | C10H11ClO3 |
| 평균 분자량 | 214.64 g/mol |
| 단동위원소 질량 | 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 |
화학 및 물리적 성질
| XLogP | 2.6 |
|---|---|
| 극성 표면적 | 46.5 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 3 |
| 회전 가능 결합 수 | 3 |
| 무거운 원자 수 | 14 |
| 형식 전하 | 0 |
| 복잡도 | 207 |
| 의약품 | Pharmaceuticals -> Antilipidemic Agents |
| LogP(분배 계수) | 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]- |
| 녹는점 | 120-122 °C(lit.) |
| 끓는 점 | 308.11°C (rough estimate) |
| 밀도 | 1.2413 (rough estimate) |
| 굴절률 | 1.5220 (estimate) |
| 저장 조건 | Sealed in dry,Room Temperature |
| 용해도 | 클로로포름, 메탄올에 용해됨 |
| 물리적 상태 | 결정 또는 결정성 분말 |
| pKa(산도 계수) | 3.18±0.10(Predicted) |
| 색상 | 연한 노란색에서 갈색을 띤다. |
| 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 |
| NIST | Clofibric acid(882-09-7) |
| EPA | Propanoic acid, 2-(4-chlorophenoxy)-2-methyl- (882-09-7) |
화학적 성질
Pale Yellow Solid
안전 및 규제
| GHS 분류 | 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%) |
| 수질 위해 등급(WGK) | 3 |
| RTECS 번호 | UE9455000 |
| 관세 코드 | 29189900 |
| 위험 문구(R) | 22-20/21/22 |
| 위험 표시 | Xn,Xi |
| 안전 문구(S) | 36-24/25 |
| 위험 등급 | IRRITANTAcute Tox. 4 Oral |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
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.
용도
Antilipemic.