기본 정보
- CAS
412950-27-7- 표준 SMILES
COCCN1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3cccnc32)CC1- InChIKey
OBJKLVFDRLAGJI-UHFFFAOYSA-N- 분자식
- C40H39F5N4O3
- 평균 분자량
- 718.8 g/mol
- 단동위원소 질량
- 718.29423193
개요
Goxalapladib is a small molecule drug. The usage of the INN stem '-pladib' in the name indicates that Goxalapladib is a phospholipase A2 inhibitor. Goxalapladib has a monoisotopic molecular weight of 718.29 Da.
이름 및 식별자
- 우선 이름
- Goxalapladib
- IUPAC
- 2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1,8-naphthyridin-1-yl]-N-[1-(2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
- 영어명
- 2-[2-(2,3-Difluorophenyl)ethyl]-N-[1-(2-methoxyethyl)-4-piperidinyl]-4-oxo-N-[[4'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]methyl]-1,8-naphthyridine-1(4H)-acetamide
- 분자식
- C40H39F5N4O3
- 분자량
- 718.75
이름 및 동의어
Goxalapladib412950-27-7UNII-GNG9ZD197LGoxalapladib [USAN:INN]GNG9ZD197LGoxalapladib (USAN)Goxalapladib [USAN]GOXALAPLADIB [INN]1,8-Naphthyridine-1(4H)-acetamide, 2-(2-(2,3-difluorophenyl)ethyl)-N-(1-(2-methoxyethyl)-4-piperidinyl)-4-oxo-N-((4'-(trifluoromethyl)(1,1'-biphenyl)-4-yl)methyl)-2-(2-(2-(2,3-Difluorophenyl)ethyl)-4-oxo-1,8-naphthyridin-1(4H)-yl)-N-(1-(2-methoxyethyl)piperidin-4-yl)-N-((4'-(trifluoromethyl)-1,1'-biphenyl-4-yl)methyl)acetamide2-(2-(2-(2,3-Difluorophenyl)ethyl)-4-oxo-1,8-naphthyridin-1(4H)-yl)-N-(1-(2-methoxyethyl)piperidin-4-yl)-N-((4'-(trifluoromethyl)biphenyl-4-yl)methyl)acetamidegoxalapladibum
이름 더 보기
*Tryptophan Impurity 60 (Acrolein)1,8-Naphthyridine-1(4H)-acetamide, 2-[2-(2,3-difluorophenyl)ethyl]-N-[1-(2-methoxyethyl)-4-piperidinyl]-4-oxo-N-[[4'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]methyl]-
RefChem:1442082-[2-(2,3-Difluorophenyl)ethyl]-N-[1-(2-methoxyethyl)-4-piperidinyl]-4-oxo-N-[[4'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]methyl]-1,8-naphthyridine-1(4H)-acetamide2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1,8-naphthyridin-1-yl]-N-[1-(2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamideorb1741426SCHEMBL2802665CHEMBL2107344SCHEMBL30105872DTXSID40961606
물성
구조 계산 물성
- XLogP
- 7.4
- 극성 표면적
- 66 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 11
- 회전 가능 결합 수
- 12
- 무거운 원자 수
- 52
- 형식 전하
- 0
- 복잡도
- 1,200
물리화학적 성질
- 끓는 점
- 772.6 · 772.6±60.0 °C(Predicted)
- 밀도
- 1.34 · 1.34
- 산도 계수 (pKa)
- 7.91 · 7.91±0.20(Predicted)
화학 및 산업
응용 분야
용도Treatment of atherosclerosis .
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