기본 정보
- CAS
146426-40-6- 표준 SMILES
CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1- InChIKey
BIIVYFLTOXDAOV-YVEFUNNKSA-N- 분자식
- C21H20ClNO5
- 평균 분자량
- 401.8 g/mol
- 단동위원소 질량
- 401.1030004
개요
Alvocidib is a synthetic dihydroxyflavone that is 5,7-dihydroxyflavone which is substituted by a 3-hydroxy-1-methylpiperidin-4-yl group at position 8 and by a chlorine at the 2' position (the ()-3S,4R stereoisomer). A cyclin-dependent kinase 9 (CDK9) inhibitor, it has been studied for the treatment of acute myeloid leukaemia, arthritis and atherosclerotic plaque formation. It has a role as an antineoplastic agent, an antirheumatic drug, an apoptosis inducer and an EC 2.7.11.22 (cyclin-dependent kinase) inhibitor. It is a dihydroxyflavone, a hydroxypiperidine, a tertiary amino compound and a member of monochlorobenzenes. It is a conjugate base of an alvocidib(1+).
이름 및 식별자
- 우선 이름
- Alvocidib
- IUPAC
- 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one
- 현지명
- 플라보피리돌
- 영어명
- Flavopiridol
- 분자식
- C21H20ClNO5
- 분자량
- 401.84
이름 및 동의어
FlavopiridolAlvocidib146426-40-6Alvocidib freebaseL86-8275L 868275L-868275alvocidibum2-(2-chlorophenyl)-5,7-dihydroxy-8-((3S,4R)-3-hydroxy-1-methylpiperidin-4-yl)-4H-chromen-4-oneHMR 12742-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-4H-chromen-4-one2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]chromen-4-one
이름 더 보기
플라보피리돌CS-180C077990Hmr 1275FlavopirodolHMR-1275
L 86-827545AD6X575G(-)cis-5,7-Dihydroxy-2-(2-chlorophenyl)-8-(4-(3-hydroxy-1-methyl)piperidinyl)-4H-1-benzopyran-4-oneCHEBI:47344DTXSID20904970(-)-cis-5,7-dihydroxy-2-(2-chlorophenyl)-8-(4-(3-hydroxy-1-methyl)piperidinyl)-4H-1-benzopyran-4-oneNSC-6498902-(2-chlorophenyl)-5,7-dihydroxy-8-((3S,4R)-3-hydroxy-1-methylpiperidin-4-yl)chromen-4-one
데이터베이스 식별자
- CAS
146426-40-6
물성
구조 계산 물성
- XLogP
- 3.3
- 극성 표면적
- 90.2 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 28
- 형식 전하
- 0
- 복잡도
- 628
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
물리화학적 성질
- 녹는점
- 52.5 °C · 52.5 °C
- 끓는 점
- 603.6 · 603.6±55.0 °C(Predicted)
- 밀도
- 1.448 · 1.448±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 2 O; · insoluble in H2O; ≥40.2 mg/mL in DMSO; ≥85.4 mg/mL in EtOH with gentle warming and ultrasonic
- 물리적 상태
- 노란색 가루.
- 산도 계수 (pKa)
- 6.16 · 6.16±0.40(Predicted)
- 색상
- Light yellow to yellow
- InChIKey
- BIIVYFLTOXDAOV-YVEFUNNKSA-N
- SMILES
- C1(C2=CC=CC=C2Cl)OC2=C([C@H]3CCN(C)C[C@H]3O)C(O)=CC(O)=C2C(=O)C=1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- HS 번호
- 2934999090
화학 및 산업
약리 정보
Mechanism of ActionInhibits cyclin-dependent kinases, arresting cell division and causing apoptosis in non-small lung cancer cells.
Metabolism/MetabolitesFlavopiridol has known human metabolites that include (2S,3S,4S,5R)-6-[2-(2-chlorophenyl)-5-hydroxy-8-[(3S,4R)-3-hydroxy-1-methylpiperidin-4-yl]-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Endogenous or exogenous substances which inhibit the normal growth of human and animal cells or micro-organisms, as distinguished from those affecting plant growth (= PLANT GROWTH REGULATORS).
Agents that inhibit PROTEIN KINASES.
응용 분야
용도Antineoplastic (cyclin-dependent kinase inhibitor)[Note—The trivial name, flavopiridol, has appeared in literature].
공급사100 곳
北京华美互利生物化工010-56205725 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海策嵘生物科技有限公司[email protected]
沈阳中申泽康生物医学技术研究有限公司024-88590548 18698872706 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
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