기본 정보
- CAS
63676-25-5- 표준 SMILES
O=C(c1ccc(OCCN2CCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12- InChIKey
JLERVPBPJHKRBJ-UHFFFAOYSA-N- 분자식
- C27H25NO4S
- 평균 분자량
- 459.6 g/mol
- 단동위원소 질량
- 459.15042928
개요
LY 117018 is a member of the class of 1-benzothiophenes that is raloxifene in which the piperidin-1-yl group has been replaced by a pyrrolidin-1-yl group. It has a role as a bone density conservation agent, an estrogen receptor modulator and an estrogen receptor antagonist. It is a member of phenols, a member of 1-benzothiophenes, a N-alkylpyrrolidine and an aromatic ketone.
이름 및 식별자
- 우선 이름
- (6-Hydroxy-2-(4-hydroxyphenyl)benzo(b)thien-3-yl)(4-(2-(1-pyrrolidinyl)ethoxy)phenyl)methanone
- IUPAC
- [6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone
- 현지명
- 페네티필론
- 영어명
- Phenethipylone
- 분자식
- C27H25NO4S
- 분자량
- 459.56
이름 및 동의어
63676-25-5Lilly 117018LY 117018LY117018Methanone, (6-hydroxy-2-(4-hydroxyphenyl)benzo(b)thien-3-yl)(4-(2-(1-pyrrolidinyl)ethoxy)phenyl)-CHEBI:90187DTXSID80213055LY-139478(6-HYDROXY-2-(4-HYDROXYPHENYL)BENZO(B)THIEN-3-YL)(4-(2-(1-PYRROLIDINYL)ETHOXY)PHENYL)METHANONERefChem:906238DTXCID80135546PHENETHIPYLONE
이름 더 보기
페네티필론LY-117018,LY117018[6-Hydroxy-2-(4-hydroxyphenyl)benzo[b]thiophen-3-yl][4-[2-(1-pyrrolidinyl)ethoxy]phenyl]methanone
LY-117018[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}methanone9FQT7VSR3V6-Hydroxy-2-(4-hydroxyphenyl)benzo(b)thien-3-yl 4-(2-(1-pyrrolidinyl)ethoxy) phenyl ketone[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methanone[6-hydroxy-2-(4-hydroxyphenyl)-1-benzothien-3-yl][4-(2-pyrrolidin-1-ylethoxy)phenyl]methanoneLY 1394786-hydroxy-2-(4-hydroxyphenyl)benzo[b]thien-3-yl 4-[2-(1-pyrrolidinyl)ethoxy] phenyl ketone
데이터베이스 식별자
- CAS
물성
구조 계산 물성
- XLogP
- 5.7
- 극성 표면적
- 98.2 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 7
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 640
물리화학적 성질
- 물리적 상태
- Solid
- 색상
- Light yellow to yellow
화학 및 산업
약리 정보
MeSH Pharmacological Classification
Compounds which inhibit or antagonize the action or biosynthesis of estrogenic compounds.
A structurally diverse group of compounds distinguished from ESTROGENS by their ability to bind and activate ESTROGEN RECEPTORS but act as either an agonist or antagonist depending on the tissue type and hormonal milieu. They are classified as either first generation because they demonstrate estrogen agonist properties in the ENDOMETRIUM or second generation based on their patterns of tissue specificity. (Horm Res 1997;48:155-63)
응용 분야
용도LY 117018 is an antiestrogen.
공급사9 곳
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天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
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