Ralaniten Acetate
기본 정보
- CAS
1637573-04-6- 표준 SMILES
CC(=O)OC[C@H](COc1ccc(C(C)(C)c2ccc(OC[C@@H](CCl)OC(C)=O)cc2)cc1)OC(C)=O- InChIKey
HGHVYYKTOXUQNT-CLJLJLNGSA-N- 분자식
- C27H33ClO8
- 평균 분자량
- 521 g/mol
- 단동위원소 질량
- 520.1863957
개요
Ralaniten Acetate is an orally bioavailable, small molecule inhibitor of the acetate form of ralaniten, a N-terminal domain (NTD) of the androgen receptor (AR), with potential antineoplastic activity. Upon oral administration of ralaniten acetate, ralaniten specifically binds to the NTD of AR, thereby inhibiting both AR activation and the AR-mediated signaling pathway. This inhibits cell growth in AR-overexpressing tumor cells. AR is overexpressed in prostate cancers and is involved in proliferation, survival and chemoresistance of tumor cells.
이름 및 식별자
- 우선 이름
- Ralaniten Acetate
- IUPAC
- [(2S)-2-acetyloxy-3-[4-[2-[4-[(2S)-2-acetyloxy-3-chloropropoxy]phenyl]propan-2-yl]phenoxy]propyl] acetate
- 영어명
- (R)-3-(4-(2-(4-((S)-2-acetoxy-3-chloropropoxy)phenyl)propan-2-yl)phenoxy)propane-1,2-diyl diacetate
- 분자식
- C27H33ClO8
- 분자량
- 521
이름 및 동의어
Ralaniten acetate1637573-04-6epi-506L10K286T2HDTXSID5010190551,2-Propanediol, 3-(4-(1-(4-((2S)-2-(acetyloxy)-3-chloropropoxy)phenyl)-1-methylethyl)phenoxy)-, 1,2-diacetate, (2S)-1,2-Propanediol, 3-[4-[1-[4-[(2S)-2-(acetyloxy)-3-chloropropoxy]phenyl]-1-methylethyl]phenoxy]-, 1,2-diacetate, (2S)-RefChem:178582AR Inhibitor EPI-506DTXCID501477051Ralaniten triacetateRalaniten acetate [USAN]
이름 더 보기
Ralaniten triacetate(EPI-506)(R)-3-(4-(2-(4-((S)-2-acetoxy-3-chloropropoxy)phenyl)propan-2-yl)phenoxy)propane-1,2-diyl diacetate
UNII-L10K286T2H(S)-3-(4-(2-(4-((S)-2-acetoxy-3-chloropropoxy)phenyl)propan-2-yl)phenoxy)propane-1,2-diyl diacetateRalaniten acetate (USAN)[(2S)-2-acetyloxy-3-[4-[2-[4-[(2S)-2-acetyloxy-3-chloropropoxy]phenyl]propan-2-yl]phenoxy]propyl] acetateC27H33ClO8orb1693793CHEMBL4297675SCHEMBL16232971
데이터베이스 식별자
- CAS
1637573-04-6- PubChem CID
- 86278934
- DTXSID
DTXSID501019055- ChEMBL
CHEMBL4297675- UNII
- L10K286T2H
물성
구조 계산 물성
- XLogP
- 5.1
- 극성 표면적
- 97.4 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 8
- 회전 가능 결합 수
- 16
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 696
물리화학적 성질
- 끓는 점
- 619 · 619.0±55.0 °C(Predicted)
- 밀도
- 1.188 · 1.188±0.06 g/cm3(Predicted)
- 저장 조건
- -20 °C · Store at -20°C
- 용해도
- 100 mg/mL · DMSO : 100 mg/mL (191.94 mM; Need ultrasonic)
- 물리적 상태
- Liquid
- 색상
- Colorless to light yellow
관련 반응
2건
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