이에프라다피반
Lefradafiban
기본 정보
- CAS
149503-79-7- 표준 SMILES
COC(=O)C[C@@H]1C[C@@H](COc2ccc(-c3ccc(/C(N)=N/C(=O)OC)cc3)cc2)NC1=O- InChIKey
PGCFXITVMNNKON-ROUUACIJSA-N- 분자식
- C23H25N3O6
- 평균 분자량
- 439.5 g/mol
- 단동위원소 질량
- 439.17433553
개요
Lefradafiban is a member of the class of pyrrolidin-2-ones that is pyrrolidin-2-one in which the 3-pro-S-hydrogen is substituted by a 2-methoxy-2-oxoethyl group, while the 5-pro-S-hydrogen is substituted by a ({4'-[N-(methoxycarbonyl)carbamimidoyl]biphenyl-4-yl}oxy)methyl group. It is an orally active prodrug of fradafiban, a figrinogen receptor antagonist. It has a role as a prodrug and a platelet glycoprotein-IIb/IIIa receptor antagonist. It is a methyl ester and a member of pyrrolidin-2-ones. It is functionally related to a fradafiban.
이름 및 식별자
- 우선 이름
- Lefradafiban
- IUPAC
- methyl 2-[(3S,5S)-5-[[4-[4-[(Z)-N'-methoxycarbonylcarbamimidoyl]phenyl]phenoxy]methyl]-2-oxopyrrolidin-3-yl]acetate
- 현지명
- 이에프라다피반
- 영어명
- Iefradafiban
- 분자식
- C23H25N3O6
- 분자량
- 439.46
이름 및 동의어
lefradafibanumCHEBI:60634DTXSID80164331methyl {(3S,5S)-5-[({4'-[N-(methoxycarbonyl)carbamimidoyl]([1,1'-biphenyl]-4-yl)}oxy)methyl]-2-oxopyrrolidin-3-yl}acetatemethyl ((3S,5S)-5-(((4'-(N-(methoxycarbonyl)carbamimidoyl)((1,1'-biphenyl)-4-yl))oxy)methyl)-2-oxopyrrolidin-3-yl)acetateRefChem:152705DTXCID20868220R4888YXR5149503-79-75-((((4'-(Imino(methoxycarbonyl)amino)methyl)(1,1'-biphenyl)-4-yl)oxy)methyl)-2-oxo-pyrrolidineacetic acid, methyl esterLefradafiban3-pyrrolidineacetic acid, 5-[[[4'-[imino[(methoxycarbonyl) amino]methyl] [1,1'-biphenyl]-4-yl]oxy]methyl]-2-oxo-,methyl ester, (3S-trans)
이름 더 보기
이에프라다피반BIBU104BIBU 104IefradafibanPGCFXITVMNNKON-ROUUACIJSA-N3-Pyrrolidineacetic acid, 5-[[[4'-[imino[(methoxycarbonyl)amino]methyl][1,1'-biphenyl]-4-yl]oxy]methyl]-2-oxo-, methyl ester, (3S,5S)-
BIBU-104XXBIBU-104methyl 2-[(3S,5S)-5-[[4-[4-[(Z)-N'-methoxycarbonylcarbamimidoyl]phenyl]phenoxy]methyl]-2-oxopyrrolidin-3-yl]acetateFP-007SECHEMBL2105032DB04863HY-10308Methyl 2-[(3S,5S)-5-[[4-[4-(N'-methoxycarbonylcarbamimidoyl)phenyl]phenoxy]methyl]-2-oxopyrrolidin-3-yl]acetate
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 129 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 696
물리화학적 성질
- 밀도
- 1.32 · 1.32±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.81 · 8.81±0.46(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
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
PharmacodynamicsLefradafiban, an orally active prodrug of fradafiban, is a novel glycoprotein (IIb/IIIa) inhibitor for the treatment of unstable angina. Development was discontinued in 2000 due to lack of efficacy.
Mechanism of ActionGPIIb/IIIa inhibitors, such as lefradafiban, block the final common pathway of platelet aggregation.
추가 설명
정의ChEBI: A member of the class of pyrrolidin-2-ones that is pyrrolidin-2-one in which the 3-pro-S-hydrogen is substituted by a 2-methoxy-2-oxoethyl group, while the 5-pro-S-hydrogen is substituted by a ({4 -[N-(methoxycarbonyl)carbamimidoyl]biphenyl-4-yl}oxy)methyl group. It is an orally active prodrug of fradafiban, a figrinogen receptor antagonist.
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