2-Amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
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기본 정보
- CAS
1207961-33-8- 표준 SMILES
Cc1cc(Cl)cc(OCCn2cc(F)cn2)c1-c1nc(N)nc2c1CN(C(=O)NCC(C)(F)F)C2- InChIKey
IRGGXYIIIARJBD-UHFFFAOYSA-N- 분자식
- C22H23ClF3N7O2
- 평균 분자량
- 509.92 g/mol
- 단동위원소 질량
- 509.15538532
이름 및 식별자
- 우선 이름
- 2-Amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
- IUPAC
- 2-Amino-4-{4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl}-N-(2,2-difluoropropyl)-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidine-6-carboxamide
- 영어명
- 2-AMino-4-{4-chloro-2-[2-(4-fluoropyrazol-1-yl)ethoxy]-6-Methylphenyl}-5,7-dihydropyrrolo[3,4-d]pyriMidine-6-carboxylic acid (2,2-difluoropropyl)aMide
- 분자식
- C22H23ClF3N7O2
- 분자량
- 509.91
이름 및 동의어
PF-494284PF 049428472-Amino-4-(4-chloro-2-(2-(4-fluoro-1H-pyrazol-1-yl)ethoxy)-6-methylphenyl)-N-(2,2-difluoroprop2-Amino-4-(4-chloro-2-(2-(4-fluoro-1H-pyrazol-1-yl)ethoxy)-6-methylphenyl)-N-(2,2-difluoropropyl)2-amino-4-[4-chloro-2-[2-(4-fluoropyrazol-1-yl)ethoxy]-6-methylphenyl]-N-(2,2-difluoropropyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxamide2-AMino-4-{4-chloro-2-[2-(4-fluoropyrazol-1-yl)ethoxy]-6-Methylphenyl}-5,7-dihydropyrrolo[3,4-d]pyriMidine-6-carboxylic acid (2,2-difluoropropyl)aMide6H-Pyrrolo[3,4-d]pyrimidine-6-carboxamide, 2-amino-4-[4-chloro-2-[2-(4-fluoro-1H-pyrazol-1-yl)ethoxy]-6-methylphenyl]-N-(2,2-difluoropropyl)-5,7-dihydro-
데이터베이스 식별자
- CAS
1207961-33-8- PubChem CID
- 46174270
- DTXSID
DTXSID30673009- ChEMBL
CHEMBL1774933
화학 및 산업
응용 분야
용도A novel potent, selective, and orally bioavailable pyrrolodinopyrimidine-containing inhibitor of heat shock protein 90 (Hsp90). It has been shown to induce degradation of multiple client proteins, cell-cycle block, apoptosis, and inhibits cell proliferation in triple-negative breast cancer (TNBC) lines, subsequently leading to tumor growth inhibition in mouse xenograft models.
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