Estradiol CAS 57-91-0
Introduction：Basic information about Estradiol CAS 57-91-0, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Estradiol Basic information
| Product Name: | Estradiol |
| Synonyms: | 1,3,5-estratriene-3,17-alpha-diol;1,3,5-Estratriene-3,17alpha-diol;17alpha-Oestradiol;3,17alpha-Dihydroxyestra-1,3,5(10)-triene;3,17-alpha-dihydroxyoestra-1,3,5(10)-triene;3,17alpha-Dihydroxyoestra-1,3,5(10)-triene;5(10)-triene-3,17-diol,(17-alpha)-estra-3;epiestradial |
| CAS: | 57-91-0 |
| MF: | C18H24O2 |
| MW: | 272.39 |
| EINECS: | 200-354-8 |
| Product Categories: | Steroids;Intermediates & Fine Chemicals;Pharmaceuticals;APIs;57-91-0 |
| Mol File: | 57-91-0.mol |
Estradiol Chemical Properties
| Melting point | 176-180 °C(lit.) |
| alpha | D20 +53 to +56° (c = 0.9 in dioxane) |
| Boiling point | 355.44°C (rough estimate) |
| density | 1.0708 (rough estimate) |
| refractive index | 1.4800 (estimate) |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | ethanol: 50 mg/mL, clear, colorless |
| pka | 10.27±0.60(Predicted) |
| form | powder |
| color | white with slight yellow |
| biological source | synthetic (organic) |
| Water Solubility | 3.9mg/L(25 ºC) |
| Merck | 14,3704 |
| InChI | 1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17-,18+/m1/s1 |
| InChIKey | VOXZDWNPVJITMN-SFFUCWETSA-N |
| SMILES | [H][C@]12CC[C@]3(C)[C@H](O)CC[C@@]3([H])[C@]1([H])CCc4cc(O)ccc24 |
| CAS DataBase Reference | 57-91-0(CAS DataBase Reference) |
| NIST Chemistry Reference | Estra-1,3,5(10)-triene-3,17alpha-diol(57-91-0) |
| EPA Substance Registry System | Estra-1,3,5(10)-triene-3,17-diol, (17.alpha.)- (57-91-0) |
Safety Information
| Hazard Codes | T,Xn |
| Risk Statements | 45-48-40 |
| Safety Statements | 53-45-24/25-22 |
| RIDADR | UN 2811 6.1/PG 2 |
| WGK Germany | 3 |
| RTECS | KG3750000 |
| F | 8-10 |
| HS Code | 29372390 |
| Storage Class | 6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects |
| Hazard Classifications | Aquatic Chronic 1 Carc. 2 Lact. Muta. 2 Repr. 1A |
| Chemical Properties | White Solid |
| Uses | Estradiol (known as α-Estradiol or 17 α-Estradiol) is a biologically active estrogen in human breast cancer cells in tissue culture. 17-Εstradiol and its selective receptor, ER-X, are not part of a classical hormone/receptor endocrine system but of a system with important autocrine/paracrine functions in the developing and adult brain. 17-Estradiol may have enormous implications for hormone replacement strategies at the menopause and in the treatment of such neurodegenerative disorders as Alzheimer’s disease and ischemic stroke. |
| Definition | ChEBI: An estradiol that is estra-1,3,5(10)-triene substituted by hydroxy groups at positions 3 and 17 (the 17alpha stereoisomer). |
| Biological Activity | Endogenous estrogen receptor ligand (K i values are 0.2 and 1.2 nM for ER α and ER β receptors respectively). |
| Biochem/physiol Actions | Estradiol (known as alpha Estradiol or 17 alpha Estradiol) is a biologically active estrogen in human breast cancer cells in tissue culture.17-estradiol and its selective receptor, ER-X, are not part of a classical hormone/receptor endocrine system but of a system with important autocrine/paracrine functions in the developing and adult brain. 17-Estradiol may have enormous implications for hormone replacement strategies at the menopause and in the treatment of such neurodegenerative disorders as Alzheimer′s disease and ischemic stroke. |
| target | Beta Amyloid | Bcl-2/Bax | Caspase | PARP | Estrogen receptor | GABA Receptor | Progestogen receptor |
| storage | Room temperature |
| Purification Methods | 17-Estradiol recrystallises from aqueous EtOH (80%) as the hemihydrate and differs from the -anomer (below) by not precipitating with digitonin in 80% aqueous EtOH. The diacetate [1474-52-8] crystallises from aqueous EtOH in needles with m 139-140o. The 3-benzoate crystallises in three forms m 158o, 153o and 63o. |
Estradiol Preparation Products And Raw materials
| Raw materials | Estra-1,3,5(10)-triene-3,17-diol, 3,17-diacetate, (17α)--->3-O-Methyl 17α-Estradiol-->17ALPHA-DIHYDROEQUILIN (50 MG) |
| Preparation Products | 4-Aminobenzyl alcohol-->Estrone-->3-O-Benzyl 17α-Estradiol |
