기본 정보
- CAS
821794-92-7- 표준 SMILES
Cc1ccc(-c2c(C(=O)CF)n(CCCO)c3ncnc(N)c23)cc1- InChIKey
IKLGYJACVCXYIL-UHFFFAOYSA-N- 분자식
- C18H19FN4O2
- 평균 분자량
- 342.4 g/mol
- 단동위원소 질량
- 342.14920402
개요
FMK is a member of pyrroles.
이름 및 식별자
- 우선 이름
- 1-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo(2,3-d)pyrimidin-6-yl)-2-fluoroethanone
- IUPAC
- 1-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-6-yl]-2-fluoroethanone
- 영어명
- 1-[4-Amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-fluoroethanone
- 분자식
- C18H19FN4O2
- 분자량
- 342.37
이름 및 동의어
1-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-fluoroethanone1-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo(2,3-d)pyrimidin-6-yl)-2-fluoroethanoneRefChem:907339821794-92-7FMK1-[4-Amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-fluoroethanoneRSK inhibitor Fmk1-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-6-yl]-2-fluoroethanoneCHEMBL515414RSK2 kinase inhibitor1-(4-amino-7-(3-hydroxypropyl)-5-(p-tolyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-fluoroethanoneC18H19FN4O2
이름 더 보기
Fluoromethyl KetoneFMK, 10 mM in DMSOFMK - RSK inhibitor FmkFluoromethyl Ketone-MEA, FMK-MEAEthanone, 1-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-fluoro-1-[5-amino-9-(3-hydroxypropyl)-7-(4-methylphenyl)-2,4,9-triazabicyclo[4.3.0]nona-1,3,5,7-tetraen-8-yl]-2-fluoro-ethanone
FMK (covalent)FMK;RSK2 kinase inhibitorGTPL9358orb1678992SCHEMBL12200837DTXSID40349344EX-A846CHEBI:228606
데이터베이스 식별자
- CAS
821794-92-7- PubChem CID
- 644243
- DTXSID
DTXSID40349344- ChEMBL
CHEMBL515414- ChEBI
CHEBI:228606- Nikkaji
- J2.191.287E
물성
구조 계산 물성
- XLogP
- 2.3
- 극성 표면적
- 94 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 25
- 형식 전하
- 0
- 복잡도
- 458
물리화학적 성질
- 밀도
- 1.36 · 1.36
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 2 O; · insoluble in H2O; ≥17.1 mg/mL in DMSO; ≥28.7 mg/mL in EtOH
- 물리적 상태
- 고체
- 색상
- White to light yellow
- InChI
- InChI=1S/C18H19FN4O2/c1-11-3-5-12(6-4-11)14-15-17(20)21-10-22-18(15)23(7-2-8-24)16(14)13(25)9-19/h3-6,10,24H,2,7-9H2,1H3,(H2,20,21,22)
- InChIKey
- IKLGYJACVCXYIL-UHFFFAOYSA-N
- SMILES
- C(=O)(C1N(CCCO)C2C(C=1C1=CC=C(C)C=C1)=C(N)N=CN=2)CF
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- HS 번호
- 2933998090
화학 및 산업
응용 분야
용도FMK is a potent irreversible RSK1/2 inhibitor (IC50 = 15 nM). Inactivates the C-terminal auto-kinase domain activity. Suppresses RSK2 kinase activity in RSK2-expressing HNSCC cell lines. Reduces HNSCC cell invasive ability. Displays no effect on EGF-stimulated phosphorylation of ERK1 or ERK2.
공급사53 곳
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