기본 정보
- CAS
82413-23-8- 표준 SMILES
CC/C(=C(\c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccc(O)cc1- InChIKey
DODQJNMQWMSYGS-QPLCGJKRSA-N- 분자식
- C26H29NO2
- 평균 분자량
- 387.5 g/mol
- 단동위원소 질량
- 387.21982917
개요
4-hydroxytamoxifen is a selective estrogen receptor modulator. It is currently in the development process to work as a potential breast hyperplasia treatment.
이름 및 식별자
- 우선 이름
- 4'-Hydroxytamoxifen
- IUPAC
- 4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-1-phenylbut-1-en-2-yl]phenol
- 현지명
- 4하이드록시타목시펜
- 영어명
- 4Hydroxy Tamoxifen
- 분자식
- C26H29NO2
- 분자량
- 387.51
이름 및 동의어
4'-hydroxytamoxifen82413-23-8DTXSID00873019RefChem:1069047DTXCID908205324'-Hydroxy tamoxifen4-Hydroxy-tamoxifen4-[(Z)-1-[4-[2-(dimethylamino)ethoxy]phenyl]-1-phenylbut-1-en-2-yl]phenol4 inverted exclamation mark -hydroxy Tamoxifen4'-Hydroxy Tamoxifen (contains up to 10% E isomer)trans-HydroxytamoxifenNCGC00091028-01
이름 더 보기
4하이드록시타목시펜4’-hydroxy TamoxifenTamoxifen Citrate Impurity 18Tamoxifen Citrate Impurity 13 (4'-Hydroxytamoxifen)4-[(1Z)-1-[[4-[2-(Dimethylamino)ethoxy]phenyl]phenylmethylene]propyl]phenolPhenol, 4-[(1Z)-1-[[4-[2-(dimethylamino)ethoxy]phenyl]phenylmethylene]propyl]-
4??-hydroxy Tamoxifen(Z)-4'-hydroxytamoxifenCHEMBL10041GTPL2817orb1704736SCHEMBL21655034'-Hydroxytamoxifen (Standard)CHEBI:231618
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 6.8
- 극성 표면적
- 32.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 29
- 형식 전하
- 0
- 복잡도
- 493
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Antibiotics
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 녹는점
- 150 · 150-153°C
- 끓는 점
- 514.4 · 514.4±50.0 °C(Predicted)
- 밀도
- 1.092 · 1.092±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Amber Vial, -20°C Freezer, Under Inert Atmosphere
- 용해도
- 클로로포름 (약간 용해됨), 디클로로메탄, 메탄올 (약간 용해됨)
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 10.32 · 10.32±0.15(Predicted)
- 색상
- 흰색에서 황백색까지
- 안정성
- 감광성
화학적 성질
White Solid
화학 및 산업
약리 정보
Metabolism/Metabolites4'-Hydroxytamoxifen is a known human metabolite of tamoxifen.
응용 분야
개요4’-hydroxy Tamoxifen is one of five main phase I metabolites of tamoxifen , a well-known estrogen receptor antagonist in breast but partial estrogen receptor agonist in endometrium. 4’-hydroxy Tamoxifen is a product of cytochrome P450 (CYP)2D6 and CYP2B6 activity. With the addition of a hydroxyl group, 4’-hydroxy tamoxifen has been shown to have a higher affinity for estrogen receptors compared to tamoxifen. At 10-100 μM, 4’-hydroxy tamoxifen is cytotoxic, in a non-apoptotic manner, to HEC-1B and HEC-1A human endometrial adenocarcinoma cell lines.
용도A metabolite of Tamoxifen (T006000).
공급사20 곳
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
上海梅凯科技有限公司021-68689288 15300790979 · [email protected]
Clearsynth Labs Limited+91-22-26355700 · [email protected]
湖北扬信医药科技有限公司15347293736 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海陶术生物科技股份有限公司
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