(6-Hydroxy-2-(4-hydroxyphenyl)benzo(b)thien-3-yl)(4-(2-(1-pyrrolidinyl)ethoxy)phenyl)methanone
Grundinformationen
- CAS
63676-25-5- Standard-SMILES
O=C(c1ccc(OCCN2CCCC2)cc1)c1c(-c2ccc(O)cc2)sc2cc(O)ccc12- InChIKey
JLERVPBPJHKRBJ-UHFFFAOYSA-N- Summenformel
- C27H25NO4S
- Durchschnittliche Molmasse
- 459,6 g/mol
- Monoisotopische Masse
- 459,15042928
Überblick
LY 117018 is a member of the class of 1-benzothiophenes that is raloxifene in which the piperidin-1-yl group has been replaced by a pyrrolidin-1-yl group.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.
Namen und Bezeichner
- Bevorzugter Name
- (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
- Englischer Name
- Phenethipylone
- Summenformel
- C27H25NO4S
- Molmasse
- 459.56
Namen und Synonyme
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
Weitere Namen anzeigen
LY-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
Datenbank-Bezeichner
- CAS
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 5,7
- Polarare Oberfläche (TPSA)
- 98,2 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 6
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 33
- Formalladung
- 0
- Komplexität
- 640
Physikochemische Eigenschaften
- Aggregatzustand
- Solid
- Farbe
- Light yellow to yellow
Chemie und Industrie
Pharmakologische Informationen
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)
Anwendungen
VerwendenLY 117018 is an antiestrogen.
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