기본 정보
- CAS
1610358-56-9- 표준 SMILES
COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=N)=O)ccn2)ncc1F- InChIKey
YZCUMZWULWOUMD-UHFFFAOYSA-N- 분자식
- C19H18F2N4O2S
- 평균 분자량
- 404.4 g/mol
- 단동위원소 질량
- 404.11185333
개요
Enitociclib is a member of the class of aminopyridines that is pyridine substituted by {4-[(S-methylsulfonimidoyl)methyl]pyridin-2-yl}amino, 4-fluoro-2-methoxyphenyl, and fluoro groups at positions 2, 4, and 5, respectively. It is an inhibitor of cyclin-dependent kinase 9 that exhibits antineoplastic activity. It has a role as an antineoplastic agent and an EC 2.7.11.22 (cyclin-dependent kinase) inhibitor. It is a monomethoxybenzene, a sulfoximide, an aminopyridine, a biaryl and a member of monofluorobenzenes.
이름 및 식별자
- 우선 이름
- ((2-((5-Fluoro-4-(4-fluoro-2-methoxyphenyl)pyridin-2-yl)amino)pyridin-4-yl)methyl)(imino)(methyl)-l6-sulfanone
- IUPAC
- 5-fluoro-4-(4-fluoro-2-methoxyphenyl)-N-[4-[(methylsulfonimidoyl)methyl]-2-pyridinyl]pyridin-2-amine
- 영어명
- (rac)-5-fluoro-4-(4-fluoro-2-methoxyphenyl)-N-{4-[(S-methylsulfonimidoyl)methyl]pyridin-2-yl}pyridin-2-amine
- 분자식
- C19H18F2N4O2S
- 분자량
- 404.44
이름 및 동의어
1610358-53-61610358-56-9(-)-Enitociclib1610358-59-2DL-Enitociclib(+)-Enitociclib(+/-)-Enitociclib( inverted exclamation markA)-Enitociclib(+)-BAY-1251152((2-((5-Fluoro-4-(4-fluoro-2-methoxyphenyl)pyridin-2-yl)amino)pyridin-4-yl)methyl)(imino)(methyl)-l6-sulfanone(+)-5-Fluoro-4-(4-fluoro-2-methoxyphenyl)-N-[4-[(S-methylsulfonimidoyl)methyl]pyridin-2-yl]pyridin-2-amine(Inverted exclamation markA)-BAY-1251152
이름 더 보기
()Enitociclib,( ) Enitociclib
( inverted exclamation markA)-BAY-1251152MFCD31619237(+/-)-BAY-1251152(-)-BAY-1251152CHEMBL4756595NSC802450NSC-802450(-)-((2-((5-Fluoro-4-(4-fluoro-2-methoxyphenyl)pyridin-2-yl)amino)pyridin-4-yl)methyl)(imino)(methyl)-l6-sulfanone
데이터베이스 식별자
- CAS
1610358-56-9、1610358-59-2
물성
구조 계산 물성
- XLogP
- 4.2
- 극성 표면적
- 96.3 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 619
물리화학적 성질
- 끓는 점
- 494.2 · 494.2±55.0 °C(Predicted)
- 밀도
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- DMSO에 용해됨
- 물리적 상태
- Solid
- 색상
- Off-white to light yellow
화학 및 산업
공급사57 곳
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