CAS 871357-89-0 Cenisertib (HCID 11569967)

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기본 정보

CAS: 871357-89-0
표준 SMILES: Cc1cc(Nc2ncc(F)c(N[C@H]3[C@@H](C(N)=O)[C@@H]4C=C[C@H]3C4)n2)ccc1N1CCN(C)CC1
InChIKey: KSOVGRCOLZZTPF-QMKUDKLTSA-N
분자식: C24H30FN7O
평균 분자량: 451.5 g/mol

개요

Cenisertib is an aurora kinase inhibitor.

이름 및 식별자

우선 이름: Cenisertib
IUPAC: (1S,2S,3R,4R)-3-[[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamide
영어명: AS703569
분자식: C24H30FN7O
분자량: 451.54

이름 및 동의어

Cenisertib871357-89-0AS703569AS-703569(1S,2S,3R,4R)-3-((5-fluoro-2-((3-methyl-4-(4-methylpiperazin-1-yl)phenyl)amino)pyrimidin-4-yl)amino)bicyclo[2.2.1]hept-5-ene-2-carboxamideR-7635277GPA358R763(1S,2S,3R,4R)-3-[[5-fluoro-2-[3-methyl-4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]bicyclo[2.2.1]hept-5-ene-2-carboxamideR 763AS 703569Aurora kinase inhibitor as703569

이름 더 보기

R763(AS-703569)AS 703569 (R763CENISERTIB (AS-703569)Cenisertib/AS-703569/R-763)Bicyclo[2.2.1]hept-5-ene-2-carboxamide, 3-[[5-fluoro-2-[[3-methyl-4-(4-methyl-1-piperazinyl)phenyl]amino]-4-pyrimidinyl]amino]-, (1S,2S,3R,4R)-

Bicyclo(2.2.1)hept-5-ene-2-carboxamide, 3-((5-fluoro-2-((3-methyl-4-(4-methyl-1-piperazinyl)phenyl)amino)-4-pyrimidinyl)amino)-, (1S,2S,3R,4R)-(1S,2S,3R,4R)-3-((5-FLUORO-2-((3-METHYL-4-(4-METHYLPIPERAZIN-1-YL)PHENYL)AMINO)PYRIMIDIN-4-YL)AMINO)BICYCLO(2.2.1)HEPT-5-ENE-2-CARBOXAMIDEcenisertibumDTXSID20236147(1S,2S,3R,4R)-3-((5-fluoro-2-(3-methyl-4-(4-methylpiperazin-1-yl)anilino)pyrimidin-4-yl)amino)bicyclo(2.2.1)hept-5-ene-2-carboxamide(1S,2S,3R,4R)-3-[(5-fluoro-2-{[3-methyl-4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-4-yl)amino]bicyclo[2.2.1]hept-5-ene-2-carboxamideRefChem:124323DTXCID20158638

물성

구조 계산 물성

XLogP: 3.2
극성 표면적: 99.4 Å²
수소 결합 공여자 수: 3
수소 결합 수용자 수: 8
회전 가능 결합 수: 6
무거운 원자 수: 33
형식 전하: 0
복잡도: 730

실험 및 물리화학적 성질

LogP3.49

물리화학적 성질

끓는 점: 708.3 · 708.3±70.0 °C(Predicted)
밀도: 1.335 · 1.335±0.06 g/cm3(Predicted)
저장 조건: -20 °C · Store at -20°C
용해도: 250 mg/mL · DMSO: 250 mg/mL (553.66 mM)
물리적 상태: Solid
산도 계수 (pKa): 16.24 · 16.24±0.40(Predicted)
색상: White to off-white

화학 및 산업

약리 정보

Mechanism of Action · 1건

R763 is a highly potent and specific inhibitor of Aurora kinase, which has been shown to block proliferation and trigger apoptosis (cell death) in several tumor cell lines including cervical, colon, lung, pancreas and prostate. The over-expression of Aurora kinase can cause cells to rapidly develop an abnormal number of chromosomes. Elevated levels of Aurora kinase are frequently associated with various human cancers and inhibition of this enzyme disrupts cell division and promotes apoptosis. [Rigel Pharmaceuticals Press Release] A probable target for R763 is Aurora kinase A (serine/threonine protein kinase 6).

공급사19 곳

成都超九八生物科技有限公司13348960310 13348960310 · [email protected]

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

湖北科乐精细化工有限公司027-59101668 19945030958 · [email protected]

銳迪國際科技有限公司18024082417 · [email protected]

Wuhan NCE Biomedical Co.,Ltd.4000-027-021 |24 +86-13986109188 | +86-15623472865 | +81-08033611988

화합물 노트

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Cenisertib