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기본 정보
- CAS
212844-54-7- 표준 SMILES
CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(=O)O)c(Cl)c2)c2ncn(C(C)C)c2n1- InChIKey
ZKDXRFMOHZVXSG-HNNXBMFYSA-N- 분자식
- C20H25ClN6O3
- 평균 분자량
- 432.912 g/mol
- 단동위원소 질량
- 432.16766634
이름 및 식별자
- 우선 이름
- Purvalanol B
- IUPAC
- 2-Chloro-4-{[2-{[(2R)-1-hydroxy-3-methylbutan-2-yl]amino}-9-(propan-2-yl)-9H-purin-6-yl]amino}benzoic acid
- 영어명
- (2R)-2-[[6-[(3-CHLORO-4-CARBOXYPHENYL)AMINO]-9-(1-METHYLETHYL)-9H-PURIN-2-YL]AMINO]-3-METHYL-1-BUTANOL
- 분자식
- C20H25ClN6O3
- 분자량
- 432.9
이름 및 동의어
NG 95CS-2003PURVALANOL BNG 95NG95NG-95Purvalanol B, >=96%Purvalanol B(NG 95)Purvalanol B, 10 mM in DMSO(R)-2-Chloro-4-((2-((1-hydroxy-3-methylbutan-2-yl)amino)-9-isopropyl-9H-purin-6-yl)amino)benzo(R)-2-CHLORO-4-(2-(1-HYDROXY-3-METHYLBUTAN-2-YLAMINO)-9-ISOPROPYL-9H-PURIN-6-YLAMINO)BENZOIC ACID(2R)-2-((6-((3-Chloro-4-carboxyphenyl)amino)-9-(1-methylethyl)-9H-purin-2-yl)amino)-3-methyl-1-butanol
데이터베이스 식별자
- CAS
212844-54-7- PubChem CID
- 448991
- DTXSID
DTXSID201317921- ChEMBL
CHEMBL23254- ChEBI
CHEBI:49840- Nikkaji
- J1.402.392E
물성
물리화학적 성질
- 녹는점
- 58.5 °C · 58.5 °C
- 끓는 점
- 660.6 · 660.6±65.0 °C(Predicted)
- 밀도
- 1.43 · 1.43±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Keep in dark place,Sealed in dry,Store in freezer, under -20°C
- 용해도
- 37 mg/mL, · DMSO:37 mg/mL, 가용성
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 2.81 · 2.81±0.25(Predicted)
- 색상
- White to light yellow
- InChIKey
- ZKDXRFMOHZVXSG-HNNXBMFYSA-N
- SMILES
- CC(C)[C@H](CO)Nc1nc(Nc2ccc(C(O)=O)c(Cl)c2)c3ncn(C(C)C)c3n1
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 3
- 스토리지 클래스
- 11 - Combustible Solids
화학 및 산업
응용 분야
개요Cyclin-dependent kinases (CDKs) are key regulators of cell cycle progression and are therefore promising targets for cancer therapy. Purvalanol B is a CDK inhibitor that most potently inhibits Cdk2/cyclin A, Cdk2/cyclin E, Cdk5/p35, and Cdk2/cyclin B (IC50s = 6, 9, 6, and 6 nM, respectively). It is inactive against Cdk4/cyclin D1 as well as several other protein kinases. Purvalanol B is a 2,6,9-trisubstituted purine that, at micromolar doses, inhibits the growth of parasites, including Plasmodium.
용도Cyclin-dependent kinases (CDKs) are key regulators of cell cycle progression and are therefore promising targets for cancer therapy. Purvalanol B is a CDK inhibitor that most potently inhibits Cdk2/cyclin A, Cdk2/cyclin E, Cdk5/p35, and Cdk2/cyclin B (IC50s = 6, 9, 6, and 6 nM, respectively). It is inactive against Cdk4/cyclin D1 as well as several other protein kinases. Purvalanol B is a 2,6,9-trisubstituted purine that, at micromolar doses, inhibits the growth of parasites, including Plasmodium.
공급사77 곳
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
武汉敬康恩生物医药科技有限公司13720134139 086-15871494362 13720134139 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
欧利希（湖北）医药科技有限公司17316404525 17316404525 · [email protected]
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