기본 정보
- CAS
875446-37-0- 표준 SMILES
COc1cc(F)c(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1C(=O)O[C@H](c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H]1C- InChIKey
MZZLGJHLQGUVPN-HAWMADMCSA-N- 분자식
- C30H25F10NO3
- 평균 분자량
- 637.5 g/mol
- 단동위원소 질량
- 637.16747586
개요
Anacetrapib is a cholesteryl ester transfer protein (CETP) inhibitor with hypocholesterolemic properties. Anacetrapib reduces the transfer of cholesteryl ester from HDL to LDL and/or VLDL thereby, producing an increase in serum HDL-cholesterol levels and a decrease in serum LDL-cholesterol levels. This agent has not yet been shown to reduce deaths associated with hypercholesterolemia.
이름 및 식별자
- 우선 이름
- Anacetrapib
- IUPAC
- (4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-one
- 현지명
- 안나프라
- 영어명
- Anacetrapib
- 분자식
- C30H25F10NO3
- 분자량
- 637.51
이름 및 동의어
Anacetrapib875446-37-0MK-0859MK0859P7T269PR6SDTXSID90236452(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-3-[[2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl]methyl]-4-methyl-1,3-oxazolidin-2-oneanacetrapibum(4S,5R)-5-(3,5-bis(trifluoromethyl)phenyl)-3-((2-(4-fluoro-2-methoxy-5-propan-2-ylphenyl)-5-(trifluoromethyl)phenyl)methyl)-4-methyl-1,3-oxazolidin-2-oneRefChem:558013DTXCID90158943(4S,5R)-5-(3,5-bis(trifluoromethyl)phenyl)-3-((4'-fluoro-2'-methoxy-5'-(propan-2-yl)-4-(trifluoromethyl)-(1,1'-biphenyl)-2-yl)methyl)-4-methyl-1,3-oxazolidin-2-one
이름 더 보기
안나프라TimapiprantCS-66AnacetripibUnii-p7T269pr6sAnacetrapib 13C6Anacetrapib, >=99%Anacetrapib(MK0859)
Anacetrapib [USAN]MFCD16294903Anacetrapib-cis(4S,5R)-5-[3,5-Bis(trifluoromethyl)phenyl]-3-[[4'-fluoro-5'-isopropyl-2'-methoxy-4-(trifluoromethyl)biphenyl-2-yl]methyl]-4-methyl-1,3-oxazolidin-2-oneAnacetrapib (MK-0859)Anacetrapib (JAN/USAN)MLS006010190CHEMBL1800807
물성
구조 계산 물성
- XLogP
- 8.8
- 극성 표면적
- 38.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 13
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 44
- 형식 전하
- 0
- 복잡도
- 964
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 끓는 점
- 555.3 · 555.3±50.0 °C(Predicted)
- 밀도
- 1.345 · 1.345
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 31.9 mg/mL · ≥31.9 mg/mL in DMSO; insoluble in H2O; ≥86.6 mg/mL in EtOH
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- -2.3 · -2.30±0.60(Predicted)
- 색상
- White to off-white
- InChIKey
- MZZLGJHLQGUVPN-HAWMADMCSA-N
- SMILES
- O1[C@H](C2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2)[C@H](C)N(CC2=CC(C(F)(F)F)=CC=C2C2=CC(C(C)C)=C(F)C=C2OC)C1=O
안전 및 규제
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 97.3% (36 of 37) of all reports.
Not Classified
Aggregated GHS information provided per 37 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesNot Classified
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
화학 및 산업
약리 정보
MeSH Pharmacological ClassificationSubstances used to lower plasma CHOLESTEROL levels.
응용 분야
용도An orally active and potent cholesterol ester transfer protein (CETP) inhibitor for the treatment of atherosclerosis, in particular dyslipidemia.
상·하류 제품 정보
상류 원료
공급사100 곳
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Hebei Yanxi Chemical Co., Ltd.+86-17531190177 · [email protected]
泰州市高港区进燕生物技术有限公司0523-86919353 13705262217 · [email protected]
LGM Pharma1-(800)-881-8210 · [email protected]
上海波以尔化工有限公司
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