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기본 정보
- CAS
722544-51-6- 표준 SMILES
CCN(CCO)CCCOc1ccc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2c1- InChIKey
QYZOGCMHVIGURT-UHFFFAOYSA-N- 분자식
- C26H30FN7O3
- 평균 분자량
- 507.6 g/mol
- 단동위원소 질량
- 507.23941604
개요
AZD-1152 is a member of the of quinazolines that is 4-aminoquinazolin-7-ol in which the amino group at position 4 has been substituted by a 5-[2-(3-fluoroanilino)-2-oxoethyl]-1H-pyrazol-3-yl group, while the hydroxy group at position 7 has been converted into the corresponding 3-[ethyl(2-hydroxyethyl)aminopropyl ether. It has a role as an antineoplastic agent and an Aurora kinase inhibitor. It is an anilide, a secondary carboxamide, a primary alcohol, a member of pyrazoles, a member of quinazolines, a secondary amino compound, a tertiary amino compound and a member of monofluorobenzenes.
이름 및 식별자
- 우선 이름
- Defosbarasertib
- IUPAC
- 2-[3-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamide
- 영어명
- 1H-Pyrazole-3-acetamide, 5-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-4-quinazolinyl]amino]-N-(3-fluorophenyl)-
- 분자식
- C26H30FN7O3
- 분자량
- 507.56
이름 및 동의어
722544-51-6AZD1152-HQPAbarasertib-hQPAAZD-1152HQPAdefosbarasertibINH-34AZD-1152 hqpa2-(5-((7-(3-(ethyl(2-hydroxyethyl)amino)propoxy)quinazolin-4-yl)amino)-1H-pyrazol-3-yl)-N-(3-fluorophenyl)acetamide2-(3-((7-(3-(ethyl(2-hydroxyethyl)amino)propoxy)quinazolin-4-yl)amino)-1H-pyrazol-5-yl)-N-(3-fluorophenyl)acetamideAZD2811AZD-281129P8LWS24N
이름 더 보기
BarasertibBarasertib (AZD1152-HQPA)CS-41INH 34AZD1152 HPQA
2-[3-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]quinazolin-4-yl]amino]-1H-pyrazol-5-yl]-N-(3-fluorophenyl)acetamideAZD 28112-{3-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}quinazolin-4-yl)amino]-1H-pyrazol-5-yl}-N-(3-fluorophenyl)acetamideDTXSID602225842-{5-[(7-{3-[ethyl(2-hydroxyethyl)amino]propoxy}quinazolin-4-yl)amino]-1H-pyrazol-3-yl}-N-(3-fluorophenyl)acetamide1H-Pyrazole-3-acetamide, 5-((7-(3-(ethyl(2-hydroxyethyl)amino)propoxy)-4-quinazolinyl)amino)-N-(3-fluorophenyl)-1H-Pyrazole-5-acetamide, 3-((7-(3-(ethyl(2-hydroxyethyl)amino)propoxy)-4-quinazolinyl)amino)-N-(3-fluorophenyl)-1H-Pyrazole-3-acetamide, 5-[[7-[3-[ethyl(2-hydroxyethyl)amino]propoxy]-4-quinazolinyl]amino]-N-(3-fluorophenyl)-
물성
구조 계산 물성보충 중
- XLogP
- 3
- 극성 표면적
- 128 Ų
- 수소 결합 공여자 수
- 4
- 수소 결합 수용자 수
- 9
- 회전 가능 결합 수
- 13
- 무거운 원자 수
- 37
- 형식 전하
- 0
- 복잡도
- 693
물리화학적 성질
- 끓는 점
- 796.7 · 796.7±60.0 °C(Predicted)
- 밀도
- 1.359 · 1.359±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 15 mg/mL · DMSO: >15mg/mL
- 산도 계수 (pKa)
- 13.07 · 13.07±0.10(Predicted)
- 물리적 상태
- 가루
- 색상
- 흰색에서 베이지색
- 안정성
- 1 · 제공된 대로 구매일로부터 1년 동안 안정적입니다. DMSO의 솔루션은 최대 1개월 동안 -20°에서 보관할 수 있습니다.
- InChIKey
- QYZOGCMHVIGURT-UHFFFAOYSA-N
- SMILES
- N1C(NC2=C3C(=NC=N2)C=C(OCCCN(CC)CCO)C=C3)=CC(CC(NC2=CC=CC(F)=C2)=O)=N1
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
용도AZD1152-HQPA is a a highly selective inhibitor of aurora-B kinase. AZD1152-HQPA has been shown to inhibit osteosarcoma cell line U2-OS cells proliferation. AZD1152-HQPA was also shown to be an effective apoptosis-inducing agent in acute myeloid leukemia cell lines and primary acute myeloid leukemia cultures.
상·하류 제품 정보
상류 원료
공급사100 곳
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
成都超九八生物科技有限公司13348960310 13348960310 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [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]
上海波以尔化工有限公司
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