기본 정보
- CAS
1202055-39-7- 표준 SMILES
CCc1cccc(CC)c1NC(=O)c1nn(C)c2c1CCc1cnc(Nc3ccc(N4CCN(C)CC4)cc3OC)nc1-2- InChIKey
DHKBTAOKHPQHKT-UHFFFAOYSA-N- 분자식
- C33H40N8O2
- 평균 분자량
- 580.7 g/mol
- 단동위원소 질량
- 580.32742255
개요
an Mps1 kinase inhibitor; structure in first source
이름 및 식별자
- 우선 이름
- N-(2,6-diethylphenyl)-8-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)-1-methyl-4,5-dihydro-1H-pyrazolo(4,3-h)quinazoline-3-carboxamide
- IUPAC
- N-(2,6-diethylphenyl)-8-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
- 영어명
- MPS1/TTK Inhibitor
- 분자식
- C33H40N8O2
- 분자량
- 580.72
이름 및 동의어
N-(2,6-Diethylphenyl)-8-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)-1-methyl-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamideN-(2,6-diethylphenyl)-8-((2-methoxy-4-(4-methylpiperazin-1-yl)phenyl)amino)-1-methyl-4,5-dihydro-1H-pyrazolo(4,3-h)quinazoline-3-carboxamideRefChem:9266171202055-39-7MPS1/TTK InhibitorN-(2,6-diethylphenyl)-4,5-dihydro-8-[[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino]-1-methyl-1H-pyrazolo[4,3-h]quinazoline-3-carboxamideN-(2,6-diethylphenyl)-8-[2-methoxy-4-(4-methylpiperazin-1-yl)anilino]-1-methyl-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamideCHEMBL4757879MPS-TTK Inhibitor - CPD5orb1693209SCHEMBL1559641C33H40N8O2
이름 더 보기
1H-Pyrazolo[4,3-h]quinazoline-3-carboxamide, N-(2,6-diethylphenyl)-4,5-dihydro-8-[[2-methoxy-4-(4-methyl-1-piperazinyl)phenyl]amino]-1-methyl-
AKOS037653302GS-9001T37050
물성
구조 계산 물성
- XLogP
- 5
- 극성 표면적
- 100 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 43
- 형식 전하
- 0
- 복잡도
- 905
물리화학적 성질
- 밀도
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 물: 약간 용해됨
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 11.76 · 11.76±0.70(Predicted)
화학 및 산업
공급사9 곳
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
上海复青化学科技有限公司13816107857 · [email protected]
上海圣酮生物医药有限公司15065661979 15065661979 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
ChemeGen 中国18818260767 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
常州辰鸿生物科技有限公司+86-0519-85788828 +86-13775037613 · [email protected]
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