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기본 정보
- CAS
910297-57-3- 표준 SMILES
Cc1nc(Nc2ncc(C(=O)Nc3c(C)cc(O)cc3Cl)s2)cc(N2CCN(CCO)CC2)n1- InChIKey
YYTXGSVGHHVHNZ-UHFFFAOYSA-N- 분자식
- C22H26ClN7O3S
- 평균 분자량
- 504.016 g/mol
- 단동위원소 질량
- 503.15063637
이름 및 식별자
- 우선 이름
- UNII-7EW75J44EY
- IUPAC
- N-(2-Chloro-4-hydroxy-6-methylphenyl)-2-({6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl}amino)-1,3-thiazole-5-carboxamide
- 영어명
- N-(2-Chloro-4-hydroxy-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-5-thiazolecarboxamide
- 분자식
- C22H26ClN7O3S
- 분자량
- 504
이름 및 동의어
BMS748730BMS 748730BMS-7487304’-Hydroxy DasatinibDasatinib metabolite M204'-HYDROXY DASATINIBDISCONTINUEDN-(2-Chloro-4-hydroxy-6-Methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-Methyl-4N-(2-Chloro-4-hydroxy-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-5-thiazolecarboxamide5-Thiazolecarboxamide, N-(2-chloro-4-hydroxy-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-N-(2-chloro-4-hydroxy-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
데이터베이스 식별자
- CAS
910297-57-3- PubChem CID
- 11854533
- DTXSID
DTXSID30474432- UNII
- 7EW75J44EY
물성
물리화학적 성질
- 밀도
- 1.461 · 1.461±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.01 · 9.01±0.36(Predicted)
화학 및 산업
응용 분야
용도As an oxidative metabolite of Dasatinib (M20 metabolite), 4'-Hydroxy Dasatinib can be used in the treatment of cancers and immune diseases.
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