Bezafibrat

CEDUR · bf-759 · bm15075 · Befizal · Bezatol · BEZALIP · Benzabet · Difaterol

https://huagongshe.com/de/chemical/39042

Identifikatoren & physikalische Daten

CAS No.	41859-67-0
Summenformel	C19H20ClNO4
Durchschnittliche Molmasse	361,8 g/mol
Monoisotopische Masse	361,1080858 g/mol
SMILES	CC(C)(Oc1ccc(CCNC(=O)c2ccc(Cl)cc2)cc1)C(=O)O
InChIKey	IIBYAHWJQTYFKB-UHFFFAOYSA-N
PubChem CID	39042
ChEMBL	CHEMBL264374
ChEBI	CHEBI:47612
EC No.	255-567-9
DTXSID	DTXSID3029869
Lokaler Name	Bezafibrat

Chemische & physikalische Eigenschaften

XLogP	3,8
Polarare Oberfläche (TPSA)	75,6
H-Brücken-Donoren	2
H-Brücken-Akzeptoren	4
Frei drehbare Bindungen	7
Schwere Atome	25
Formalladung	0
Komplexität	452
Arzneimittel	PharmaceuticalsPharmaceuticals -> AntilipidemicsPharmaceuticals -> Listed in ZINC15Pharmaceuticals -> Used in Switzerland
Löslichkeit	1.55e-03 g/L>54.3 [ug/mL] (The mean of the results at pH 7.4)DMF: soluble
Schmelzpunkt	186 °C184 °C
Physical Description	Solid
Collision Cross Section	189.0 Å² [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID3029869]177.3 Å² [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]180.44 Å² [M+H-H2O]+ [CCS Type: TW183.8 Å² [M-H]-
Siedepunkt	572.1±45.0 °C(Predicted)
Dichte	1.260±0.06 g/cm3(Predicted)
Lagerbedingungen	2-8°C
Aggregatzustand	solid
pKa (Säurekonstante)	3.29±0.10(Predicted)
Farbe	White to Off-White
Merck	14,1195
Stabilität	Hygroscopic
InChI	InChI=1S/C19H20ClNO4/c1-19(2,18(23)24)25-16-9-3-13(4-10-16)11-12-21-17(22)14-5-7-15(20)8-6-14/h3-10H,11-12H2,1-2H3,(H,21,22)(H,23,24)
InChIKey	IIBYAHWJQTYFKB-UHFFFAOYSA-N
SMILES	C(O)(=O)C(OC1=CC=C(CCNC(=O)C2=CC=C(Cl)C=C2)C=C1)(C)C
LogP (Verteilungskoeffizient)	2.504 (est)
CAS Datenbank	41859-67-0(CAS DataBase Reference)
EPA chemische Informationen	Propanoic acid, 2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methyl- (41859-67-0)

Sicherheit & Vorschriften

GHS-Einstufung	WarningH302 (50.9%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P264, P270, P280, P301+P317, P318, P330, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 106 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Weitere Sicherheitsinformationen	IMAP assessments - Propanoic acid, 2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methyl-: Environment tier I assessment
Hazard Classes and Categories	Acute Tox. 4 (50.9%)Acute Tox. 4 (100%)
Drug Induced Liver Injury	Drug-Induced Liver Injury Severity and Toxicity (DILIst)bezafibrateDILI NegativeoralDOI:10.1016/j.drudis.2019.09.022
Wassergefährdungsklasse (WGK)	1
Zollcode	29242990
RTECS-Nr.	UE8755000
R-Sätze (R)	22
Toxizität	LD50 oral in rat: 1082mg/kg
Gefahrensymbole	Xn
Sicherheitshinweise (S)	36
Lagerklasse	11 - Combustible Solids
Gefahrenklasse	Acute Tox. 4 Oral

Anwendungen & Verwendung

Beschreibung

Bezafibrate is a non-selective agonist of peroxisome proliferator-activated receptors (PPARs; EC50s = 50, 60, and 20 μM for human PPARα, PPARγ, and PPARδ, respectively). It reduces triglyceride levels and the size of lipid droplets in an oleic acid-induced HepaRG hepatocyte model of steatosis when used at a concentration of 25 μM. Bezafibrate (10 mg/kg per day) reduces plasma VLDL and LDL mass and triglyceride and free fatty acid levels in a high-fructose plus lard diet-induced rat model of insulin resistance.

Verwenden

Bezafibrate has been used:a supplement in the standard diet (SD)for mice to study its effect on diabetesto evaluate its effect on hepatitis C virus (HCV) assembly and secretionto evaluate its effect on gonadal steroidogenesis andspermatogenesisof zebrafish and also used as standard for HPLC