E-7386
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기본 정보
- CAS
1799824-08-0- 표준 SMILES
C=CCN1CC(=O)N2[C@@H](Cc3ccc(O)cc3F)C(=O)N(Cc3cccc(N4CC(N5CCN(CC)CC5)C4)n3)C[C@@H]2N1C(=O)NCc1ccccc1- InChIKey
ZGNKNLOBYFTGRG-GIWKVKTRSA-N- 분자식
- C39H48FN9O4
- 평균 분자량
- 725.9 g/mol
- 단동위원소 질량
- 725.38132921
개요
CBP/beta-catenin Modulator E7386 is an orally bioavailable, specific inhibitor of the canonical Wnt/beta-catenin signaling pathway, with potential antineoplastic activity. Upon oral administration, CBP/beta-catenin modulator E7386 inhibits beta-catenin and prevents the interaction of beta-catenin with its transcriptional coactivator, CREB (cAMP response element-binding) binding protein (CBP). This prevents binding of beta-catenin/CBP to WRE (Wnt-responsive element), and inhibits the activation of transcription of a wide range of target genes of Wnt/beta-catenin signaling, thereby preventing gene expression of many Wnt-related, pro-survival proteins and suppressing tumor cell growth. The Wnt/beta-catenin signaling pathway regulates cell morphology, motility, and proliferation; aberrant regulation of this pathway leads to neoplastic proliferation. Beta-catenin is frequently mutated in various tumors.
이름 및 식별자
- 우선 이름
- E-7386
- IUPAC
- (6S,9aS)-N-benzyl-8-[[6-[3-(4-ethylpiperazin-1-yl)azetidin-1-yl]-2-pyridinyl]methyl]-6-[(2-fluoro-4-hydroxyphenyl)methyl]-4,7-dioxo-2-prop-2-enyl-3,6,9,9a-tetrahydropyrazino[2,1-c][1,2,4]triazine-1-carboxamide
- 영어명
- E-7386
- 분자식
- C39H48FN9O4
- 분자량
- 725.85
이름 및 동의어
E-73861799824-08-0E7386I0DX1FG55YE 7386(6S,9aS)-2-allyl-N-benzyl-8-((6-(3-(4-ethylpiperazin-1-yl)azetidin-1-yl)pyridin-2-yl)methyl)-6-(2-fluoro-4-hydroxybenzyl)-4,7-dioxohexahydro-2H-pyrazino[2,1-c][1,2,4]triazine-1(6H)-carboxamide(6S,9aS)-2-Allyl-N-benzyl-8-((6-(3-(4-ethylpiperazin-1-yl)azetidin-1-yl)pyridin-2-yl)methyl)-6-(2-fluoro-4-hydroxybenzyl)-4,7-dioxohexahydro-2H-pyrazino(2,1-C)(1,2,4)triazine-1(6H)-carboxamide(6S,9aS)-8-((6-(3-(4-Ethyl-1-piperazinyl)-1-azetidinyl)-2-pyridinyl)methyl)-6-((2-fluoro-4-hydroxyphenyl)methyl)hexahydro-4,7-dioxo-N-(phenylmethyl)-2-(2-propen-1-yl)-2H-pyrazino(2,1-C)(1,2,4)triazine-1(6H)-carboxamide2H-Pyrazino(2,1-C)(1,2,4)triazine-1(6H)-carboxamide, 8-((6-(3-(4-ethyl-1-piperazinyl)-1-azetidinyl)-2-pyridinyl)methyl)-6-((2-fluoro-4-hydroxyphenyl)methyl)hexahydro-4,7-dioxo-N-(phenylmethyl)-2-(2-propen-1-yl)-, (6S,9aS)-E7386 compoundRefChem:136146CBP/beta-catenin Modulator E7386
이름 더 보기
E-7386, 10 mM in DMSOE-7386,Epigenetic Reader Domain,E 7386,inhibit,Inhibitor
물성
구조 계산 물성보충 중
- XLogP
- 3.4
- 극성 표면적
- 119 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 10
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 53
- 형식 전하
- 0
- 복잡도
- 1,280
물리화학적 성질
- 밀도
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 125 · DMSO:125.0(Max Conc. mg/mL);172.21(Max Conc. mM)
- 물리적 상태
- Solid
- 산도 계수 (pKa)
- 8.92 · 8.92±0.20(Predicted)
- 색상
- White to off-white
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302
화학 및 산업
응용 분야
용도E-7386, is an CBP/beta-catenin modulator that is shown to be orally active. E-7386, has shown high antitumor activity in Wnt1 model.
관련 반응
2건
화합물 노트
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