HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Ethisteron
Progestoral · 17A-ETHYNYLTESTOSTERONE · Prone · Pranone · Pregnin · Gestoral · NSC-9565 · Prodoxan
Identifikatoren & physikalische Daten
| CAS No. | 434-03-7 |
|---|---|
| Summenformel | C21H28O2 |
| Durchschnittliche Molmasse | 312,4 g/mol |
| Monoisotopische Masse | 312,20893014 g/mol |
| SMILES | C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C |
| InChIKey | CHNXZKVNWQUJIB-CEGNMAFCSA-N |
| PubChem CID | 5284557 |
| ChEMBL | CHEMBL241694 |
| ChEBI | CHEBI:34749 |
| EC No. | 207-096-5 |
| DTXSID | DTXSID2023016 |
| Lokaler Name | Ethisteron |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 23 |
| Formalladung | 0 |
| Komplexität | 637 |
| SpringerMaterials Properties | Chemical shift |
| Human Drugs | Pharmaceuticals |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Collision Cross Section | 180.2 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID2023016] |
| Schmelzpunkt | 263-269 °C (lit.) |
| Siedepunkt | 392.36°C (rough estimate) |
| Dichte | 1.0697 (rough estimate) |
| Brechungsindex | 33 ° (C=1, Pyridine) |
| Lagerbedingungen | room temp |
| Löslichkeit | Soluble to 0.05 mg/mL (0.16 mM) in DMSOsoluble in chloroform, DMSO (0.05 mg/ml), acetone (slightly ), ethanol (<1 mg/ml at 25°C), and water (<1 mg/ml at 25°C). |
| pKa (Säurekonstante) | 13.10±0.60(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Light yellow to yellow |
| Biologische Quelle | synthetic (organic) |
| Merck | 14,3741 |
| BRN | 1889895 |
| InChI | 1S/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3/t16-,17+,18+,19+,20+,21+/m1/s1 |
| InChIKey | CHNXZKVNWQUJIB-CEGNMAFCSA-N |
| SMILES | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2CC[C@@]4(C)[C@H]3CC[C@@]4(O)C#C |
| CAS Datenbank | 434-03-7 |
| NIST chemische Informationen | Ethisterone(434-03-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH360 (95.2%): May damage fertility or the unborn child [Danger Reproductive toxicity]P203, P280, P318, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 01-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/2184 |
| Hazard Classes and Categories | Repr. 1A (95.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2811 |
| Zollcode | 29372390 |
| RTECS-Nr. | TU5570250 |
| R-Sätze (R) | 40-48-61 |
| Gefahrensymbole | Xn,T |
| Sicherheitshinweise (S) | 22-24/25-45-53 |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
| Gefahrenklasse | Aquatic Acute 1Aquatic Chronic 1Repr. 1A |
Anwendungen & Verwendung
Beschreibung
Ethisterone is an orally bioavailable synthetic progestin and a derivative of testosterone (Item Nos. ISO60154 | 15645) that binds to progesterone and androgen receptors (EC50s = 23 and 23.1 nM, respectively, in yeast). Ethisterone (1 μM) downregulates progesterone receptors in MCF-7 cells.
Verwenden
Ethisterone has been used as a component in Dulbecco′s modified eagle medium (DMEM) to culture the transfected COS-7 cell for transient transfection assay andgene transfection assay.