기본 정보
- CAS
2549174-42-5- 표준 SMILES
C=C(C)C(=O)Nc1ccc(-c2c(-c3ccc(Oc4nccc(C)n4)c(F)c3)c3c(N)ncnc3n2C)cc1- InChIKey
XOQVZSSDIQQUGO-UHFFFAOYSA-N- 분자식
- C28H24FN7O2
- 평균 분자량
- 509.5 g/mol
- 단동위원소 질량
- 509.1975512
개요
Lirafugratinib is an orally bioavailable inhibitor of the fibroblast growth factor receptor 2 (FGFR2), with potential antineoplastic activity. Upon oral administration, lirafugratinib binds to and inhibits FGFR2, which results in the inhibition of FGFR2-mediated signal transduction pathways. This inhibits the proliferation of FGFR2-overexpressing tumor cells. FGFR2, a receptor tyrosine kinase upregulated in many tumor cell types, plays a key role in cellular proliferation, migration and survival.
이름 및 식별자
- 우선 이름
- Lirafugratinib
- IUPAC
- N-[4-[4-amino-5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-methylpyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamide
- 영어명
- 2-Propenamide, N-[4-[4-amino-5-[3-fluoro-4-[(4-methyl-2-pyrimidinyl)oxy]phenyl]-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methyl-
- 분자식
- C28H24FN7O2
- 분자량
- 509.55
이름 및 동의어
Lirafugratinib2549174-42-5RLY-4008RLY40087HY6IMH87SN-(4-(4-amino-5-(3-fluoro-4-((4-methylpyrimidin-2-yl)oxy)phenyl)-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl)methacrylamideRly 4008N-[4-[4-amino-5-[3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl]-7-methylpyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methylprop-2-enamideexample 343 [WO2020231990A1]2-Propenamide, N-(4-(4-amino-5-(3-fluoro-4-((4-methyl-2-pyrimidinyl)oxy)phenyl)-7-methyl-7H-pyrrolo(2,3-d)pyrimidin-6-yl)phenyl)-2-methyl-2-Propenamide, N-[4-[4-amino-5-[3-fluoro-4-[(4-methyl-2-pyrimidinyl)oxy]phenyl]-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenyl]-2-methyl-N-[4-(4-amino-5-{3-fluoro-4-[(4-methylpyrimidin-2-yl)oxy]phenyl}-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-2-methylprop-2-enamide
이름 더 보기
FGFR2IN3Lirafugratinib ImpurityFGFR2-IN-3, 10 mM in DMSOLirafugratinib Impurity 1
example 343 (WO2020231990A1)N-(4-(4-amino-5-(3-fluoro-4-((4-methylpyrimidin-2-yl)oxy)phenyl)-7-methyl-7H-pyrrolo(2,3-d)pyrimidin-6-yl)phenyl)-2-methylprop-2-enamideN-(4-(4-amino-5-(3-fluoro-4-((4-methylpyrimidin-2-yl)oxy)phenyl)-7-methyl-7H-pyrrolo(2,3-d)pyrimidin-6-yl)phenyl)methacrylamideN-(4-(4-amino-5-(3-fluoro-4-(4-methylpyrimidin-2-yl)oxyphenyl)-7-methylpyrrolo(2,3-d)pyrimidin-6-yl)phenyl)-2-methylprop-2-enamideRefChem:153645FGFR2 Inhibitor RLY-4008Fibroblast Growth Factor Receptor 2 Inhibitor RLY-4008FGFR2-IN-3
데이터베이스 식별자
- CAS
2549174-42-5、2688040-45-9- PubChem CID
- 155309155
- ChEMBL
CHEMBL5314555- UNII
- 7HY6IMH87S
- Nikkaji
- J3.806.370G
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 121 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 840
물리화학적 성질
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 62.5 mg/mL · DMSO : 62.5 mg/mL (122.66 mM; ultrasonic and warming and heat to 60°C)
- 물리적 상태
- Solid
- 색상
- Off-white to light yellow
- InChIKey
- XOQVZSSDIQQUGO-UHFFFAOYSA-N
- SMILES
- CN1C2=NC=NC(N)=C2C(C2C=CC(OC3=NC=CC(C)=N3)=C(F)C=2)=C1C1C=CC(NC(=O)C(=C)C)=CC=1
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