Onvansertib

HCID 49792852

기본 정보

CAS: 1034616-18-6
표준 SMILES: CN1CCN(c2ccc(OC(F)(F)F)c(Nc3ncc4c(n3)-c3c(c(C(N)=O)nn3CCO)CC4)c2)CC1
InChIKey: QHLVBNKYJGBCQJ-UHFFFAOYSA-N
분자식: C24H27F3N8O3
평균 분자량: 532.5 g/mol
단동위원소 질량: 532.21582124

개요

Onvansertib is under investigation in clinical trial NCT03303339 (Onvansertib in Combination With Either Low-dose Cytarabine or Decitabine in Adult Patients With Acute Myeloid Leukemia (AML).).

이름 및 식별자

우선 이름: Onvansertib
IUPAC: 1-(2-hydroxyethyl)-8-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
영어명: NMS-P937 (NMS1286937)
분자식: C24H27F3N8O3
분자량: 532.52

이름 및 동의어

Onvansertib1034616-18-6NMS-1286937PCM-0751-(2-Hydroxyethyl)-8-((5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl)amino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide67RM91WDHQ1-(2-hydroxyethyl)-8-[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)anilino]-4,5-dihydropyrazolo[4,3-h]quinazoline-3-carboxamideDTXSID7010259171H-Pyrazolo(4,3-H)quinazoline-3-carboxamide, 4,5-dihydro-1-(2-hydroxyethyl)-8-((5-(4-methyl-1-piperazinyl)-2-(trifluoromethoxy)phenyl)amino)-1-(2-hydroxyethyl)-8-(5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)anilino)-4,5-dihydropyrazolo(4,3-h)quinazoline-3-carboxamidePOLO-LIKE KINASE 1 INHIBITOR NMS-12869371-(2-HYDROXYETHYL)-8-((5-(4-METHYLPIPERAZIN-1-YL)-2-(TRIFLUOROMETHOXY)PHENYL)AMINO)-4,5-DIHYDRO-1H-PYRAZOLO(4,3-H)QUINAZOLINE-3-CARBOXAMIDE

이름 더 보기

PCM075CS-1243NMS-P937NMS-1286937,NMS-P937NMS-P937 (NMS1286937)Onvansertib (NMS-P937)Onvansertib（NMS-1286937

1-(2-hydroxyethyl)-8-((5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl)amino)-1H,4H,5H-pyrazolo(4,3-h)quinazoline-3-carboxamide1-(2-hydroxyethyl)-8-{[5-(4-methylpiperazin-1-yl)-2-(trifluoromethoxy)phenyl]amino}-1H,4H,5H-pyrazolo[4,3-h]quinazoline-3-carboxamideRefChem:928230'PLK1 Inhibitor PCM-075PLK-1 Inhibitor PCM-075PCM 075DTXCID001510165Polo-like Kinase 1 Inhibitor PCM-075

데이터베이스 식별자

CAS: 1034616-18-6
PubChem CID: 49792852
DTXSID: DTXSID701025917
ChEMBL: CHEMBL1094408、CHEMBL1738758
UNII: 67RM91WDHQ

물성

구조 계산 물성

XLogP: 2
극성 표면적: 135 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 12
회전 가능 결합 수: 7
무거운 원자 수: 38
형식 전하: 0
복잡도: 817

물리화학적 성질

끓는 점: 757.8 · 757.8±70.0 °C(Predicted)
밀도: 1.57 · 1.57±0.1 g/cm3(Predicted)
저장 조건: -20 °C · Store at -20°C
용해도: 2 O; · insoluble in H2O; insoluble in EtOH; ≥13.33 mg/mL in DMSO
물리적 상태: 고체
산도 계수 (pKa): 14.29 · 14.29±0.10(Predicted)
색상: Off-white to light yellow
InChIKey: QHLVBNKYJGBCQJ-UHFFFAOYSA-N
SMILES: N1=C2C(CCC3C(C(N)=O)=NN(CCO)C=32)=CN=C1NC1=CC(N2CCN(C)CC2)=CC=C1OC(F)(F)F

안전 및 규제

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315

화학 및 산업

약리 정보

MeSH Pharmacological ClassificationAgents that inhibit PROTEIN KINASES.

응용 분야

용도NMS-P937 is a quinazoline derivative that is a potent and selective Polo-like kinase 1 inhibitor. Antitumor, anti-cancer.

공급사83 곳

天津欣康佑生物科技有限公司19922659386 · [email protected]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]

武汉钴锝锶科技有限公司027-13487090-306 13487090306 · [email protected]

화합물 노트

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