기본 정보
- CAS
1206801-37-7- 표준 SMILES
Cc1ccc(C(=O)Nc2ccc(Oc3cc4cnn(C)c4cc3-c3cn[nH]c3)c(F)c2)c(=O)n1-c1ccc(F)cc1.Cl.Cl- InChIKey
NNYNNMGUBHQQLZ-UHFFFAOYSA-N- 분자식
- C30H24Cl2F2N6O3
- 평균 분자량
- 625.4 g/mol
- 단동위원소 질량
- 624.1255004
이름 및 식별자
- 우선 이름
- Merestinib dihydrochloride
- IUPAC
- N-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide;dihydrochloride
- 현지명
- LY2801653이염산염
- 영어명
- LY 2801653 dihydrochloride
- 분자식
- C30H23ClF2N6O3
- 분자량
- 589
이름 및 동의어
1206801-37-7Merestinib dihydrochlorideLY2801653 dihydrochlorideMerestinib 2HClLY2801653 (dihydrochloride)33F79TLF60N-(3-fluoro-4-((1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl)oxy)phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide dihydrochlorideN-[3-fluoro-4-[1-methyl-6-(1H-pyrazol-4-yl)indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide;dihydrochlorideLY-2801653 dihydrochloride3-Pyridinecarboxamide, N-(3-fluoro-4-((1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl)oxy)phenyl)-1-(4-fluorophenyl)-1,2-dihydro-6-methyl-2-oxo-, hydrochloride (1:2)N-(3-fluoro-4-{[1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl]oxy}phenyl)-1-(4-fluorophenyl)-6-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide dihydrochlorideLY 2801653 dihydrochloride
이름 더 보기
LY2801653이염산염CS-1046LY2801653 HClLY2801653 2HClMerestinib(LY2801653 dihydrochloride)Merestinib dihydrochloride (LY2801653 dihydrochloride)
UNII-33F79TLF603-Pyridinecarboxamide, N-[3-fluoro-4-[[1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-1,2-dihydro-6-methyl-2-oxo-, hydrochloride (1:2)LY-2801653 HydrochlorideC30H24Cl2F2N6O3orb1707040SCHEMBL29726013DTXSID701374592GLXC-15783
데이터베이스 식별자
- CAS
1206801-37-7- PubChem CID
- 71604306
- DTXSID
DTXSID701374592- UNII
- 33F79TLF60
물성
구조 계산 물성
- 극성 표면적
- 105 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 1,050
물리화학적 성질
- 저장 조건
- -20 °C, · Store at -20°C, sealed storage, away from moisture
- 용해도
- 100 mg/mL · DMSO: ≥ 100 mg/mL (159.88 mM)
- 물리적 상태
- 가루
- 색상
- White to light yellow
화학 및 산업
응용 분야
용도N-[3-Fluoro-4-[[1-methyl-6-(1H-pyrazol-4-yl)-1H-indazol-5-yl]oxyphenyl]-1-(4-fluorophenyl)-6-methyl-2-oxopyridine-3-carboxamide dihydrochloride is used as a reactant/reagent in synthetic preparation of amidophenoxyindazoles as inhibitors of c-Met.
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