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49562-28-9 分子结构
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propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate

ChemBase编号:911
分子式:C20H21ClO4
平均质量:360.83134
单一同位素质量:360.11283683
SMILES和InChIs

SMILES:
Clc1ccc(C(=O)c2ccc(OC(C)(C)C(=O)OC(C)C)cc2)cc1
Canonical SMILES:
CC(OC(=O)C(Oc1ccc(cc1)C(=O)c1ccc(cc1)Cl)(C)C)C
InChI:
InChI=1S/C20H21ClO4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14/h5-13H,1-4H3
InChIKey:
YMTINGFKWWXKFG-UHFFFAOYSA-N

引用这个纪录

CBID:911 http://www.chembase.cn/molecule-911.html

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名称和登记号

名称和登记号

名称 登记号
IUPAC标准名
propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
IUPAC传统名
antara
isopropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate
商标名
Ankebin
Antara
Elasterate
Elasterin
Fenobrate
Fenogal
Fenotard
Lipanthyl
Lipantil
Lipidex
Lipidil
Lipidil Micro
Lipidil Supra
Lipifen
Lipirex
Lipoclar
Lipofene
Liposit
Lipsin
Lofibra
Luxacor
Nolipax
Procetofen
Proctofene
Protolipan
Secalip
Sedufen
Tricor
Triglide
Trilipix
别名
2-[4-(4-Chlorobenzoyl)phenoxy]-2-methyl-propanoic Acid 1-Methylethyl Ester
LF 178
Lipanthyl
Lipantil
Lipidil Supra
Lipirex
Lipoclar
Lipofene
Liposit
Lipsin
MeltDose
NSC 281319
Nolipax
Procetofen
Procetofene
2-[4-(4-Chlorobenzoyl)phenoxy]-2-methylpropanoic acid isopropyl ester
Fenofibrate
Fenofibrato [INN-Spanish]
Fenofibratum [INN-Latin]
FNF
Finofibrate
Fenofibric acid
Fenofibrate
Antara
Fenoglide
Fibricor
Lipofen
Isopropyl 2-(4-(4-chlorobenzoyl)phenoxy)-2-methylpropanoate
CAS号
49562-28-9
EC号
256-376-3
MDL号
MFCD00133314
PubChem SID
160964374
46507371
24278015
PubChem CID
3339

理论计算性质

理论计算性质

JChem ALOGPS 2.1
质子受体 质子供体
LogD (pH = 5.5) 5.277763  LogD (pH = 7.4) 5.277763 
Log P 5.277763  摩尔折射率 97.1298 cm3
极化性 38.178596 Å3 极化表面积 52.6 Å2
可自由旋转的化学键 里宾斯基五规则 false 
Log P 4.86  LOG S -5.71 
溶解度 7.07e-04 g/l 

分子性质

分子性质

理化性质 安全信息 药理学性质 产品相关信息 生物活性(PubChem)
溶解度
0.25mg/ml at 25 oC expand 查看数据来源
Acetone expand 查看数据来源
Benzene expand 查看数据来源
Chloroform expand 查看数据来源
Ether expand 查看数据来源
外观
off-white powder expand 查看数据来源
White Solid expand 查看数据来源
熔点
80-81°C expand 查看数据来源
疏水性(logP)
5.3 expand 查看数据来源
保存条件
-20°C expand 查看数据来源
-20°C Freezer expand 查看数据来源
RTECS编号
UA2453400 expand 查看数据来源
MSDS下载
下载链接 expand 查看数据来源
下载链接 expand 查看数据来源
德国WGK号
3 expand 查看数据来源
个人保护装置
dust mask type N95 (US), Eyeshields, Gloves expand 查看数据来源
相关基因信息
human ... PPARA(5465) expand 查看数据来源
纯度
≥99% expand 查看数据来源
95+% expand 查看数据来源
97% expand 查看数据来源
成盐信息
Free Base expand 查看数据来源
质检报告
下载链接 expand 查看数据来源
Empirical Formula (Hill Notation)
C20H21ClO4 expand 查看数据来源

详细说明

详细说明

DrugBank DrugBank Selleck Chemicals Selleck Chemicals Sigma Aldrich Sigma Aldrich TRC TRC
DrugBank -  DB01039 external link
Item Information
Drug Groups approved
Description An antilipemic agent which reduces both cholesterol and triglycerides in the blood. [PubChem]
Indication For use as adjunctive therapy to diet to reduce elevated LDL-C, Total-C,Triglycerides and Apo B, and to increase HDL-C in adult patients with primary hypercholesterolemia or mixed dyslipidemia (Fredrickson Types IIa and IIb)
Pharmacology Fenofibrate is a lipid regulating agent indicated as adjunctive therapy to diet to reduce elevated LDL-C, Total-C,Triglycerides and Apo B, and to increase HDL-C in adult patients with primary hypercholesterolemia or mixed dyslipidemia (Fredrickson Types IIa and IIb). Fenofibrate is also indicated as adjunctive therapy to diet for treatment of adult patients with hypertriglyceridemia (Fredrickson Types IV and V hyperlipidemia). Fenofibric acid, the active metabolite of Fenofibrate, produces reductions in total cholesterol, LDL cholesterol, apolipoprotein B, total triglycerides and triglyceride rich lipoprotein (VLDL) in treated patients. In addition, treatment with fenofibrate results in increases in high density lipoprotein (HDL) and apoproteins apoAI and apoAII.
Toxicity LD50=1600 mg/kg (Oral, in mice); Investigated as a teratogen and reproductive hazard.
Affected Organisms
Humans and other mammals
Absorption Fenofibrate is well absorbed from the gastrointestinal tract. After absorption, fenofibrate is mainly excreted in the urine in the form of metabolites, primarily fenofibric acid and fenofibric acid glucuronide
Half Life 20 hours
Protein Binding ~99% (Serum protein binding)
Elimination Fenofibric acid is primarily conjugated with glucuronic acid and then excreted in urine. Following oral administration in healthy volunteers, approximately 60% of a single dose of radiolabelled fenofibrate appeared in urine, primarily as fenofibric acid and its glucuronate conjugate and 25% was excreted in the feces.
Distribution * 95 L [moderate renal impairment (creatinine clearance of 50 to 90 mL/min)]
* 30 L [healthy adults]
Clearance * 1.2 L/h [Eldery]
References
Wysocki J, Belowski D, Kalina M, Kochanski L, Okopien B, Kalina Z: Effects of micronized fenofibrate on insulin resistance in patients with metabolic syndrome. Int J Clin Pharmacol Ther. 2004 Apr;42(4):212-7. [Pubmed]
Keech A, Simes RJ, Barter P, Best J, Scott R, Taskinen MR, Forder P, Pillai A, Davis T, Glasziou P, Drury P, Kesaniemi YA, Sullivan D, Hunt D, Colman P, d'Emden M, Whiting M, Ehnholm C, Laakso M: Effects of long-term fenofibrate therapy on cardiovascular events in 9795 people with type 2 diabetes mellitus (the FIELD study): randomised controlled trial. Lancet. 2005 Nov 26;366(9500):1849-61. [Pubmed]
External Links
Wikipedia
RxList
PDRhealth
Drugs.com
Selleck Chemicals -  S1794 external link
Research Area: Cardiovascular Disease
Biological Activity:
Fenofibrate (Tricor, Trilipix) is a compound of the fibrate class and fibric acid derivative. Fenofibrate (Tricor, Trilipix) is mainly used to reduce cholesterol levels in patients at risk of cardiovascular disease. Like other fibrates, fenofibrate (Tricor, Trilipix) reduces both low-density lipoprotein (LDL) and very low density lipoprotein (VLDL) levels, as well as increasing high-density lipoprotein (HDL) levels and reducing tryglycerides level. Fenofibrate (Tricor, Trilipix) also appears to have a beneficial effect on the insulin resistance featured by the metabolic syndrome. Fenofibrate (Tricor, Trilipix) is used alone or in conjunction with statins in the treatment of hypercholesterolemia and hypertriglyceridemia. [1]
Sigma Aldrich -  F6020 external link
Biochem/physiol Actions
PPARα agonist; lipid regulating drug. Increases high density lipoprotein levels by reducing cholesteryl ester transfer protein expression.
Toronto Research Chemicals -  F248640 external link
Antilipemic. It is a lipid regulating drug. Increases high density lipoprotein levels by reducing cholesteryl ester transfer protein expresion.

参考文献

参考文献

供应商提供 Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • Wysocki J, Belowski D, Kalina M, Kochanski L, Okopien B, Kalina Z: Effects of micronized fenofibrate on insulin resistance in patients with metabolic syndrome. Int J Clin Pharmacol Ther. 2004 Apr;42(4):212-7. Pubmed
  • Keech A, Simes RJ, Barter P, Best J, Scott R, Taskinen MR, Forder P, Pillai A, Davis T, Glasziou P, Drury P, Kesaniemi YA, Sullivan D, Hunt D, Colman P, d'Emden M, Whiting M, Ehnholm C, Laakso M: Effects of long-term fenofibrate therapy on cardiovascular events in 9795 people with type 2 diabetes mellitus (the FIELD study): randomised controlled trial. Lancet. 2005 Nov 26;366(9500):1849-61. Pubmed
  • http://en.wikipedia.org/wiki/Fenofibrate
  • Sornay, R., et al.: Arzneim.-Forsch., 26, 885 (1976)
  • Wulfert, W., et al.: Artery, 9, 120 (1976)
  • Chaput, et al.: Lipids, 34, 497 (1976)
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专利

专利

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