Trioxifene

HCID 50139CAS 63619-84-1

기본 정보

표준 SMILES: COc1ccc(C2=C(C(=O)c3ccc(OCCN4CCCC4)cc3)c3ccccc3CC2)cc1
InChIKey: IHGLINDYFMDHJG-UHFFFAOYSA-N
분자식: C30H31NO3
평균 분자량: 453.6 g/mol
단동위원소 질량: 453.23039385

이름 및 식별자

우선 이름: Trioxifene
IUPAC: [2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone
영어명: Trioxifene
분자식: C30H31NO3
분자량: 453.57

이름 및 동의어

TRIOXIFENE63619-84-1TrioxifenoTrioxifenumR0130F043HDTXSID302129973,4-dihydro-2-(p-methoxyphenyl)-1-naphthyl p-(2-(1-pyrrolidinyl)ethoxy)phenylketoneRefChem:191868DTXCID60135488LY 88571(3,4-Dihydro-2-(4-methoxyphenyl)-1-naphthalenyl)(4-(2-(1-pyrrolidinyl)ethoxy)phenyl) MethanoneMethanone, (3,4-dihydro-2-(4-methoxyphenyl)-1naphthalenyl)(4-(2-(1-pyrrolidinyl)ethoxy)phenyl)-

이름 더 보기

Trioxifen3,4-Dihydro-2-(p-methoxyphenyl)-1-naphthyl p-(2-(1-pyrrolidinyl)ethoxy)phenyl)ketone(3,4-Dihydro-2-(4-methoxyphenyl)-1-naphthyl)(4-(2-(1-pyrrolidinyl)ethyl)phenyl)keton[3,4-Dihydro-2-(4-methoxyphenyl)naphthalen-1-yl]4-[2-(1-pyrrolidinyl)ethoxy]phenyl ketone

Trioxifene [INN][2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanoneTrioxifeno [INN-Spanish]Trioxifenum [INN-Latin]Lilly 88571UNII-R0130F043HCHEMBL110057orb2815170

데이터베이스 식별자

CAS: 63619-84-1
PubChem CID: 50139
DTXSID: DTXSID30212997
ChEMBL: CHEMBL110057
UNII: R0130F043H
Nikkaji: J19.668A

물성

구조 계산 물성

XLogP: 5.7
극성 표면적: 38.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 8
무거운 원자 수: 34
형식 전하: 0
복잡도: 696

물리화학적 성질

용해도: soluble in No data available

화학 및 산업

응용 분야 · 1건

용도Trioxifene (LY-133,314) is a selective estrogen receptor modulator (SERM) with competitive binding activity against estradiol for estrogen receptor {α} (ER{α}) and antagonistic activity against ER{α}-mediated gene expression. It may be useful for the treatment of breast cancer.