EPZ011969
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기본 정보
- CAS
1598383-40-4- 표준 SMILES
CCN(c1cc(C#CCN2CCOCC2)cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)c1C)[C@H]1CC[C@H](N(C)CCOC)CC1- InChIKey
XQFINGFCBFHOPE-WXUXXXNLSA-N- 분자식
- C35H51N5O4
- 평균 분자량
- 605.81 g/mol
이름 및 식별자
- 우선 이름
- EPZ011969
- 영어명
- EPZ011969
- 분자식
- C35H51N5O4
- 분자량
- 605.81
이름 및 동의어
EPZ011989CS-1609CS-2079EPZ011969EPZ011989EPZ-011989EPZ011989, 10 mM in DMSOEPZ011989,inhibit,Histone Methyltransferase,Inhibitor,EPZ 011989,EPZ-011989N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3-(ethyl((1r,4r)-4-((2-methoxyethyl)(methyl)amino)cyclohexyl)amino)-2-methyl-5-(3-morpholinoprop-1-ynyl)benzamideN-((4,6-DIMETHYL-2-OXO-1,2-DIHYDROPYRIDIN-3-YL)METHYL)-3-(ETHYL((TRANS)-4-((2-METHOXYETHYL)(METHYL)AMINO)CYCLOHEXYL)AMINO)-2-METHYL-5-(3-MORPHOLINOPROP-1-YN-1-YL)BENZAMIDEN-[(1,2-Dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-[ethyl[trans-4-[(2-methoxyethyl)methylamino]cyclohexyl]amino]-2-methyl-5-[3-(4-morpholinyl)-1-propyn-1-yl]benzamide
데이터베이스 식별자
- CAS
1598383-40-4
물성
물리화학적 성질
- 끓는 점
- 756.7 · 756.7±60.0 °C(Predicted)
- 밀도
- 1.17 · 1.17±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 55 · DMSO:55.0(Max Conc. mg/mL);90.79(Max Conc. mM)DMF:10.0(Max Conc. mg/mL);16.51(Max Conc. mM)Ethanol:60.0(Max Conc. mg/mL);99.04(Max Conc. mM)Ethanol:PBS (pH 7.2) (1:1):0.5(Max Conc. mg/mL);0.83(Max Conc. mM)
- 물리적 상태
- 결정성 고체
- 산도 계수 (pKa)
- 11.88 · 11.88±0.10(Predicted)
- 색상
- Light yellow to yellow
화학 및 산업
응용 분야
개요The lysine methyltransferase EZH2 (KMT6), part of polycomb repressive complex 2, catalyzes trimethylation of lysine 27 on histone H3 and is involved in proliferation and aggressive cell growth associated with neoplastic cells. EPZ011989 is an orally bioavailable EZH2 inhibitor with Ki values that are less than 3 nM for wild type and Tyr646 mutated EZH2. It displays 15-fold selectivity for EZH2 over EZH1 and is without effect against an array of other lysine methyltransferases. EPZ011989 demonstrates significant tumor growth inhibition in a mouse xenograft model of human B cell lymphoma.
용도N-[(1,2-Dihydro-4,6-dimethyl-2-oxo-3-pyridinyl)methyl]-3-[ethyl[trans-4-[(2-methoxyethyl)methylamino]cyclohexyl]amino]-2-methyl-5-[3-(4-morpholinyl)-1-propyn-1-yl]-benzamide is used in biological studies as inhibitors of EZH2 histone methyltransferase for the treatment of cancer.
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