기본 정보
- CAS
1195767-77-1- 표준 SMILES
CC(C)(CO)c1nc(-c2cccc(NS(=O)(=O)c3c(F)cccc3F)c2F)c(-c2ccnc(N)n2)s1- InChIKey
XUORVRVRUPDXCP-UHFFFAOYSA-N- 분자식
- C23H20F3N5O3S2
- 평균 분자량
- 535.6 g/mol
- 단동위원소 질량
- 535.09596635
이름 및 식별자
- 우선 이름
- Hydroxy dabrafenib
- IUPAC
- N-[3-[5-(2-aminopyrimidin-4-yl)-2-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
- 영어명
- Dabrafenib Hydroxy
- 분자식
- C23H20F3N5O3S2
- 분자량
- 535.56
이름 및 동의어
Hydroxy dabrafenib1195767-77-1Dabrafenib metabolite M7GSK2285403GSK-22854032N549WYF8ON-[3-[5-(2-aminopyrimidin-4-yl)-2-(1-hydroxy-2-methylpropan-2-yl)-1,3-thiazol-4-yl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamideBenzenesulfonamide, N-(3-(5-(2-amino-4-pyrimidinyl)-2-(2-hydroxy-1,1-dimethylethyl)-4-thiazolyl)-2-fluorophenyl)-2,6-difluoro-UNII-2N549WYF8OHydroxy dabrafenib?GSK 2285403Dabrafenib Impurity N2
이름 더 보기
HydroxydarafenilDabrafenib HydroxyDabrafenib Impurity 5Hydroxy Dabrafenib (Dabrafenib Metabolite M7)Benzenesulfonamide, N-[3-[5-(2-amino-4-pyrimidinyl)-2-(2-hydroxy-1,1-dimethylethyl)-4-thiazolyl]-2-fluorophenyl]-2,6-difluoro-Hydroxy Dabrafenib/N-[3-[5-(2-Amino-4-pyrimidinyl)-2-(2-hydroxy-1,1-dimethylethyl)-4-thiazolyl]-2-fluorophenyl]-2,6-difluorobenzenesulfonamide
orb654524SCHEMBL1127717C23H20F3N5O3S2XUORVRVRUPDXCP-UHFFFAOYSA-NN-(3-(5-(2-Aminopyrimidin-4-yl)-2-(1-hydroxy-2-methylpropan-2-yl)thiazol-4-yl)-2-fluorophenyl)-2,6-difluorobenzenesulfonamideQ27255062N-[3-[5-(2-aminopyrimidin-4-yl)-2-(2-hydroxy-1,1-dimethyl-ethyl)thiazol-4-yl]-2-fluoro-phenyl]-2,6-difluoro-benzenesulfonamideN-{3-[5-(2-amino-4-pyrimidinyl)-2-(2-hydroxy-1,1-dimethylethyl)-1,3-thiazol-4-yl]-2-fluorophenyl}-2,6-difluorobenzenesulfonamide
데이터베이스 식별자
- CAS
1195767-77-1- PubChem CID
- 57989740
- UNII
- 2N549WYF8O
- Nikkaji
- J3.630.588F
물성
구조 계산 물성
- XLogP
- 3.6
- 극성 표면적
- 168 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 12
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 841
물리화학적 성질
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 색상
- 흰색에서 황백색까지
화학 및 산업
응용 분야
용도Hydroxy Dabrafenib is a metabolite of Dabrafenib (D101000). Dabrafenib is an inhibitor of BRAF V600E used in the treatment metastatic melanoma.
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