StartseiteMCPWorkbenchSkills
StartseiteWorkbenchBenachrichtigungenMein Bereich
Huagongshe Open Project:[email protected]KI-Anbindung: llms.txt · MCP-AnleitungDatenschutz · Nutzungsbedingungen · Supportv1.7.8
  1. Startseite
  2. /Verbindung

Estradiol Acetate

HCID 9818306
NotizenReaktionen
GrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

CAS
4245-41-4
Standard-SMILES
CC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12
InChIKey
FHXBMXJMKMWVRG-SLHNCBLASA-N
Summenformel
C20H26O3
Durchschnittliche Molmasse
314,4 g/mol
Monoisotopische Masse
314,18819469

Überblick

Estradiol acetate is a steroid ester.

Namen und Bezeichner

Bevorzugter Name
Estradiol Acetate
IUPAC
[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] acetate
Englischer Name
β-Estradiol 3-acetate
Summenformel
C20H26O3
Molmasse
314.41864

Namen und Synonyme

Estradiol acetate4245-41-4FemringEstradiol 3-acetateFemtraceEstradiol-3-acetateMenoring3-O-Acetylestradiol17beta-Estradiol 3-acetateEstradiol, 3-acetateDTXSID7045867beta-Estradiol 3-acetate
Weitere Namen anzeigen
β-Estradiol 3-acetatePromestriene Impurity 16FHXBMXJMKMWVRG-SLHNCBLASA-NEstra-1,3,5(10)-triene-3,17-diol (17β)-, 3-acetate(8R,9S,13S,14S,17S)-17-Hydroxy-13-methyl-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthren-3-yl acetate
UNII-5R97F5H93PE 3A5R97F5H93PE3ADTXCID50258673-Acetoxyestra-1,3,5(10)-trien-17beta-ol17beta-Hydroxy-3-acetoxyestra-1,3,5(10)-triene17beta-Hydroxyestra-1,3,5(10)-trien-3-yl acetate

Datenbank-Bezeichner

CAS
4245-41-4
PubChem CID
9818306
DTXSID
DTXSID7045867
ChEMBL

Eigenschaften

Berechnete Struktureigenschaften

XLogP
2,8
Polarare Oberfläche (TPSA)
46,5 Ų
H-Brücken-Donoren
1
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
2
Schwere Atome
23
Formalladung
0
Komplexität
476

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15
Human Drugs · 2 Einträge

FDA approved drugs -> Active ingredient

FDA approved drugs -> Active ingredient

Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section185.16 Ų [M-H]-

Physikochemische Eigenschaften

Schmelzpunkt
136.5 · 136.5-137.5 °C(Solv: methanol (67-56-1))
Siedepunkt
455.5 · 455.5±45.0 °C(Predicted)
Dichte
1.156 · 1.156±0.06 g/cm3(Predicted)
pka
15.06 · 15.06±0.40(Predicted)

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H351 (96.2%): Suspected of causing cancer [Warning Carcinogenicity]

P203, P260, P263, P264, P270, P280, P318, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 26 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesCarc. 2 (96.2%)

Sicherheitsdaten

Alarmwort
Achtung
Gefahrenhinweise
Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H351

Chemie und Industrie

Pharmakologische Informationen

Protein BindingEstrogens circulate in the blood largely (>95%) bound to sex hormone binding globulin (SHBG) and to albumin.
Pharmacodynamics · 1 Eintrag

Estrogen mediates its effects across the body through potent agonism of the Estrogen Receptor (ER), which is located in various tissues including in the breasts, uterus, ovaries, skin, prostate, bone, fat, and brain. Estradiol binds to both subtypes of the Estrogen Receptor: Estrogen Receptor Alpha (ERα) and Estrogen Receptor Beta (ERβ). Estradiol also acts as a potent agonist of G Protein-coupled Estrogen Receptor (GPER), which has recently been recognized as a major mediator of estradiol's rapid cellular effects.

Mechanism of Action · 1 Eintrag

Estradiol enters target cells freely (e.g., female organs, breasts, hypothalamus, pituitary) and interacts with a target cell receptor. When the estrogen receptor has bound its ligand it can enter the nucleus of the target cell, and regulate gene transcription which leads to formation of messenger RNA. The mRNA interacts with ribosomes to produce specific proteins that express the effect of estradiol upon the target cell. Estrogens increase the hepatic synthesis of sex hormone binding globulin (SHBG), thyroid-binding globulin (TBG), and other serum proteins and suppress follicle-stimulating hormone (FSH) from the anterior pituitary. Increases in the down-stream effects of ER binding reverses some of the symptoms of menopause, which are primarily caused by a loss of estrogenic activity.

Metabolism/Metabolites · 2 Einträge

Exogenous estrogens are metabolized using the same mechanism as endogenous estrogens. Estradiol is converted reversibly to estrone, and both can be converted to estriol, which is the major urinary metabolite. Estrogens also undergo enterohepatic recirculation via sulfate and glucuronide conjugation in the liver, biliary secretion of conjugates into the intestine, and hydrolysis in the gut followed by reabsorption. In postmenopausal women, a significant proportion of the circulating estrogens exist as sulfate conjugates, especially estrone sulfate, which serves as a circulating reservoir for the formation of more active estrogens.

Estradiol acetate has known human metabolites that include 6-[(3-acetyloxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid.

Zugehörige Reaktionen

2
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 1576351
HRID 1576351als Eduktuspto-grants-1976_09
Reaktionsgleichung von HRID 1576352
HRID 1576352als Eduktuspto-grants-1976_09

Notizen zur Verbindung

Wird geladen…

Auf dieser SeiteGrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
CHEMBL1200430
ChEBI
CHEBI:135981
UNII
5R97F5H93P
EC Number
639-449-8
Nikkaji
J494.628F
FDA Pharmacological Classification · 2 Einträge

ESTRADIOL ACETATE

Estrogen Receptor Agonists [MoA]; Estrogen [EPC]; Estradiol Congeners [CS]

Absorption, Distribution and Excretion · 3 Einträge

Drug delivery from Femring is rapid for the first hour and then declines to a relatively constant rate for the remainder of the 3-month dosing interval. Estradiol acetate is rapidly hydrolyzed to estradiol which is absorbed through the vaginal mucosa as evidenced by the mean time to maximum concentration (tmax) for estradiol of about 1 hour (range 0.25 to 1.5 hrs). Following the maximum concentration (Cmax=1129pg/mL), serum estradiol decreases rapidly such that by 24 to 48 hours postdose, serum estradiol concentrations are relatively constant through the end of the 3-month dosing interval.

Estradiol, estrone and estriol are excreted in the urine along with glucuronide and sulfate conjugates.

The distribution of exogenous estrogens is similar to that of endogenous estrogens. Estrogens are widely distributed in the body and are generally found in higher concentrations in the sex hormone target organs.

Anwendungen

VerwendenEstrogen replacement therapy.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

EstradiolVinylacetat

Anbieter5 Anbieter

广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
艾吉析科技(上海)有限公司17717235263 17717235263 · [email protected]
TLC梯尔希(南京)药物研发有限公司18012923235 18012923235 · [email protected]