Bezafibrate
CEDUR · bf-759 · bm15075 · Befizal · Bezatol · BEZALIP · Benzabet · Difaterol
식별자 및 물리적 특성
| CAS No. | 41859-67-0 |
|---|---|
| 분자식 | C19H20ClNO4 |
| 평균 분자량 | 361.8 g/mol |
| 단동위원소 질량 | 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 |
화학 및 물리적 성질
| XLogP | 3.8 |
|---|---|
| 극성 표면적 | 75.6 |
| 수소 결합 공여자 수 | 2 |
| 수소 결합 수용자 수 | 4 |
| 회전 가능 결합 수 | 7 |
| 무거운 원자 수 | 25 |
| 형식 전하 | 0 |
| 복잡도 | 452 |
| 의약품 | PharmaceuticalsPharmaceuticals -> AntilipidemicsPharmaceuticals -> Listed in ZINC15Pharmaceuticals -> Used in Switzerland |
| 용해도 | 1.55e-03 g/L>54.3 [ug/mL] (The mean of the results at pH 7.4)에 용해됨DMF |
| 녹는점 | 186 °C184 °C |
| Physical Description | Solid |
| Collision Cross Section | 189.0 Ų [M+Na]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID3029869]177.3 Ų [M+H]+ [CCS Type: TWMethod: calibrated with polyalanine and drug standards]180.44 Ų [M+H-H2O]+ [CCS Type: TW183.8 Ų [M-H]- |
| 끓는 점 | 572.1±45.0 °C(Predicted) |
| 밀도 | 1.260±0.06 g/cm3(Predicted) |
| 저장 조건 | 2-8°C |
| 물리적 상태 | 고체 |
| pKa(산도 계수) | 3.29±0.10(Predicted) |
| 색상 | 흰색에서 황백색까지 |
| Merck | 14,1195 |
| 안정성 | 흡습성 |
| 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(분배 계수) | 2.504 (est) |
| EPA | Propanoic acid, 2-[4-[2-[(4-chlorobenzoyl)amino]ethyl]phenoxy]-2-methyl- (41859-67-0) |
화학적 성질
Off-White Solid
안전 및 규제
| GHS 분류 | 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] |
|---|---|
| 기타 안전 정보 | 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 |
| 수질 위해 등급(WGK) | 1 |
| RTECS 번호 | UE8755000 |
| 독성 | LD50 oral in rat: 1082mg/kg |
| 관세 코드 | 29242990 |
| 위험 문구(R) | 22 |
| 위험 표시 | Xn |
| 안전 문구(S) | 36 |
| 위험 등급 | Acute Tox. 4 Oral |
| 저장 분류 | 11 - Combustible Solids |
용도
개요
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.
용도
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