기본 정보
- CAS
533884-09-2- 표준 SMILES
Oc1ccc([C@@H]2Oc3ccc(O)cc3[C@@H]3CCC[C@@H]32)cc1- InChIKey
XIESSJVMWNJCGZ-VKJFTORMSA-N- 분자식
- C18H18O3
- 평균 분자량
- 282.3 g/mol
- 단동위원소 질량
- 282.12559443
개요
Erteberel is an estrogen receptor beta agonist that has been used in trials studying the treatment of Benign Prostatic Hyperplasia.
이름 및 식별자
- 우선 이름
- Erteberel
- IUPAC
- (3aS,4R,9bR)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-ol
- 영어명
- Erteberel (LY500307)
- 분자식
- C18H18O3
- 분자량
- 282.33
이름 및 동의어
Erteberel533884-09-2LY500307SERBA-1LY-5003072ZUL6758TZDTXSID70201547(3aS,4R,9bR)-1,2,3,3a,4,9b-Hexahydro-4-(4-hydroxyphenyl)cyclopenta[c][1]benzopyran-8-olCyclopenta(c)(1)benzopyran-8-ol, 1,2,3,3a,4,9b-hexahydro-4-(4-hydroxyphenyl)-, (3aS,4R,9bR)-erteberelum(3aS,4R,9bR)-1,2,3,3a,4,9b-Hexahydro-4-(4-hydroxyphenyl)cyclopenta(c)(1)benzopyran-8-olRefChem:591094
이름 더 보기
PhenchlobenpyrroneCS-897LY500307 (Erteberel)Erteberel, 10 mM in DMSOErteberel LY500307 LY-500307Erteberel (LY500307) USP/EP/BP
DTXCID00124038(2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo(7.4.0.02,?)trideca-1(9),10,12-trien-12-ol(3aS,4R,9bR)-4-(4-hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta[c]chromen-8-olBenzopyran derivative., 4b(racemate)(3aS,4R,9bR)-4-(4-Hydroxyphenyl)-1,2,3,3a,4,9b-hexahydrocyclopenta(c)(1) benzopyran-8-olErteberel (LY500307)I0GErteberel [USAN]
데이터베이스 식별자
- CAS
533884-09-2- PubChem CID
- 10286159
- DTXSID
DTXSID70201547- ChEMBL
CHEMBL278703- UNII
- 2ZUL6758TZ
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 49.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 363
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Listed in ZINC15
Endocrine DisruptorsPotential endocrine disrupting compound
물리화학적 성질
- 끓는 점
- 485.2 · 485.2±45.0 °C(Predicted)
- 밀도
- 1.268 · 1.268
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 2 O; · insoluble in H2O; ≥14.1 mg/mL in DMSO; ≥48.3 mg/mL in EtOH
- 물리적 상태
- 고체
- 산도 계수 (pKa)
- 9.79 · 9.79±0.30(Predicted)
- 색상
- Off-white to light brown
화학 및 산업
응용 분야
용도Erteberel is a highly selective estrogen receptor β (ERβ) agonist.
공급사58 곳
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
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AdooQ BioScience, LLC+1 (866) 930-6790 · [email protected]
Wuhan NCE Biomedical Co.,Ltd.4000-027-021 |24 +86-13986109188 | +86-15623472865 | +81-08033611988
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Target molecule Corp.857-239-0968 · [email protected]
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Cckinase, Inc.+1 (732)236-3202 · [email protected]
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Wuhan Topule Biopharmaceutical Co., Ltd+86-18327326525 · [email protected]
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