하이드록시메틸다사티닙
Hydroxymethyl Dasatinib
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기본 정보
- CAS
910297-58-4- 표준 SMILES
Cc1nc(Nc2ncc(C(=O)Nc3c(Cl)cccc3CO)s2)cc(N2CCN(CCO)CC2)n1- InChIKey
KZNOWBHQESWSTD-UHFFFAOYSA-N- 분자식
- C22H26ClN7O3S
- 평균 분자량
- 504 g/mol
- 단동위원소 질량
- 503.1506366
이름 및 식별자
- 우선 이름
- Hydroxymethyl Dasatinib
- IUPAC
- N-[2-chloro-6-(hydroxymethyl)phenyl]-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide
- 현지명
- 하이드록시메틸다사티닙
- 영어명
- Hydroxymethyl Dasatinib
- 분자식
- C22H26ClN7O3S
- 분자량
- 504
이름 및 동의어
Hydroxymethyl Dasatinib910297-58-4Dasatinib metabolite M24N-(2-Chloro-6-(hydroxymethyl)phenyl)-2-((6-(4-(2-hydroxyethyl)-1-piperazinyl)-2-methyl-4-pyrimidinyl)amino)-5-thiazolecarboxamideBMS-749426O4S6Z9X0XSN-[2-chloro-6-(hydroxymethyl)phenyl]-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamideN-(2-Chloro-6-(hydroxymethyl)phenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methylpyrimidin-4-yl)amino)thiazole-5-carboxamide5-Thiazolecarboxamide, N-(2-chloro-6-(hydroxymethyl)phenyl)-2-((6-(4-(2-hydroxyethyl)-1-piperazinyl)-2-methyl-4-pyrimidinyl)amino)-N-(2-Chloro-6-(hydroxymethyl)phenyl)-2-((6-(4-(2-hydroxyethyl)piperazin-1-yl)-2-methyl-pyrimidin-4-yl)amino)thiazole-5-carboxamideUNII-O4S6Z9X0XSN-[2-CHLORO-6-(HYDROXYMETHYL)PHENYL]-2-({6-[4-(2-HYDROXYETHYL)PIPERAZIN-1-YL]-2-METHYLPYRIMIDIN-4-YL}AMINO)-1,3-THIAZOLE-5-CARBOXAMIDE
이름 더 보기
하이드록시메틸다사티닙Dasatinib Hydroxymethyl AnalogN-[2-Chloro-6-(hydroxymethyl)phenyl]-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-5-thiazolecarboxamide5-Thiazolecarboxamide, N-[2-chloro-6-(hydroxymethyl)phenyl]-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-Hydroxymethyl Dasatinib/N-[2-Chloro-6-(hydroxymethyl)phenyl]-2-[[6-[4-(2-hydroxyethyl)-1-piperazinyl]-2-methyl-4-pyrimidinyl]amino]-5-thiazolecarboxamide
데이터베이스 식별자
- CAS
910297-58-4- PubChem CID
- 11854534
- DTXSID
DTXSID90474433- UNII
- O4S6Z9X0XS
물성
구조 계산 물성보충 중
- XLogP
- 2.9
- 극성 표면적
- 155 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 660
물리화학적 성질
- 녹는점
- 190 · 190-192°C
- 밀도
- 1.465 · 1.465±0.06 g/cm3(Predicted)
- 저장 조건
- Refrigerator
- 용해도
- DMSO(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 10.71 · 10.71±0.70(Predicted)
- 색상
- 흰색에서 황백색까지
화학적 성질
White to Off-White Solid
화학 및 산업
응용 분야
용도Hydroxymethyl Dasatinib is an oxidative metabolite of Dasatinib (M24 metabolite); used in the treatment of cancers and immune diseases.
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