Clofibric Acid (HCID 2797)

개요

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.

이름 및 식별자

우선 이름: Clofibric Acid
IUPAC: 2-(4-chlorophenoxy)-2-methylpropanoic acid
영어명: 2-(4-Chlorophenoxy)-2-methylpropionic acid
분자식: C10H11ClO3
분자량: 214.65

이름 및 동의어

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

이름 더 보기

ClofibricPCIBPCPIB4-CPIBRegadrinClofibrinRegulipid

Acido clofibricoPropanoic acid, 2-(4-chlorophenoxy)-2-methyl-Acide clofibriquealpha-(p-Chlorophenoxy)isobutyric acidNSC-1149Acidum clofibricumNSC 1149p-Chlorophenoxyisobutyric Acid

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 2.6
극성 표면적: 46.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 3
무거운 원자 수: 14
형식 전하: 0
복잡도: 207

실험 및 물리화학적 성질

DrugsPharmaceuticals -> Antilipidemic Agents

LogP2.64

Ionization Efficiency · 6건

Positive

-0.44

2.7

Agilent XCT

Electrospray ionization

formic acid (5.3nM)

Collision Cross Section · 2건

146.6 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

149.4 Å² [M-H]-

물리화학적 성질

녹는점: 120 · 120-122 °C(lit.)
끓는 점: 308.11 °C · 308.11°C (rough estimate)
밀도: 1.2413 · 1.2413 (rough estimate)
굴절률: 1.522 · 1.5220 (estimate)
저장 조건: Sealed in dry,Room Temperature
용해도: 클로로포름, 메탄올에 용해됨
물리적 상태: 결정 또는 결정성 분말
산도 계수 (pKa): 3.18 · 3.18±0.10(Predicted)
색상: 연한 노란색에서 갈색을 띤다.
Merck: 14 · 14,2378
BRN: 1874067 · 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: 2 · Propanoic acid, 2-(4-chlorophenoxy)-2-methyl- (882-09-7)

화학적 성질

Pale Yellow Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

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.

유해성 정보

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

wgk: 3
rtecs: UE9455000
HS 번호: 29189900
risk_code: 22-20/21/22
hazard_code: Xn,Xi
safety_code: 36-24/25
위험 등급: IRRITANT
Hazard Classifications: Acute Tox. 4 Oral
스토리지 클래스: 11 - Combustible Solids

화학 및 산업

약리 정보

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 · 2건

Substances used to lower plasma CHOLESTEROL levels.

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

응용 분야 · 2건

개요Clofibric 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.

용도Antilipemic.

상·하류 제품 정보

상류 원료

하류 제품

클로피브레이트 에토피브레이트2-하이드록시메틸니코티네이트 니코틴산

공급사50 곳

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]

추가 설명

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

연결된 노트

불러오는 중…

Clofibric Acid

기본 정보

개요