CAS 221093-33-0|(17β)-(17-2H)Estra-1(10),2,4-triene-2,3,17-triol
Introduction：Basic information about CAS 221093-33-0|(17β)-(17-2H)Estra-1(10),2,4-triene-2,3,17-triol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | (17β)-(17-2H)Estra-1(10),2,4-triene-2,3,17-triol | ||
|---|---|---|---|
| CAS Number | 221093-33-0 | Molecular Weight | 293.41 |
| Density | 1.2±0.1 g/cm3 | Boiling Point | 481.5±45.0 °C at 760 mmHg |
| Molecular Formula | C18H19D5O3 | Melting Point | / |
| MSDS | / | Flash Point | 227.6±23.3 °C |
Names
| Name | 2-hydroxy-17beta-estradiol-1,4,16,16,17-d5 |
|---|---|
| Synonym | More Synonyms |
BiologicalActivity
| Description | 2-Hydroxyestradiol-d5 is the deuterium labeled 2-Hydroxyestradiol. 2-Hydroxyestradiol, a metabolite of 17β-estradiol with minimal estrogenic activity, possesses antioxidant effects and reacts with DNA to form stable adducts and exerts genotoxicity[[1][3][4]. |
|---|---|
| Related Catalog | Research Areas >>InfectionSignaling Pathways >>Others >>Others |
| In Vitro | Stable heavy isotopes of hydrogen, carbon, and other elements have been incorporated into drug molecules, largely as tracers for quantitation during the drug development process. Deuteration has gained attention because of its potential to affect the pharmacokinetic and metabolic profiles of drugs[1]. |
| References | [1]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216. [2]. C H Van Aswegen, et al. Binding of 2-hydroxyestradiol and 4-hydroxyestradiol to estrogen receptors from human breast cancers. J Steroid Biochem. 1989 Apr;32(4):485-92. [3]. S P Tofovic, et al. 2-Hydroxyestradiol attenuates the development of obesity, the metabolic syndrome, and vascular and renal dysfunction in obese ZSF1 rats. J Pharmacol Exp Ther. 2001 Dec;299(3):973-7. [4]. Yeon-Jin Hurh, et al. 2-Hydroxyestradiol induces oxidative DNA damage and apoptosis in human mammary epithelial cells. J Toxicol Environ Health A. 2004 Dec;67(23-24):1939-53. |
Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
|---|---|
| Boiling Point | 481.5±45.0 °C at 760 mmHg |
| Molecular Formula | C18H19D5O3 |
| Molecular Weight | 293.41 |
| Flash Point | 227.6±23.3 °C |
| Exact Mass | 289.178833 |
| PSA | 60.69000 |
| LogP | 3.53 |
| Vapour Pressure | 0.0±1.3 mmHg at 25°C |
| Index of Refraction | 1.622 |
| InChIKey | DILDHNKDVHLEQB-MLEVBVPTSA-N |
| SMILES | CC12CCC3c4cc(O)c(O)cc4CCC3C1CCC2O |
Synonyms
| (17β)-(17-H)Estra-1(10),2,4-triene-2,3,17-triol |
| 2-Hydroxy-17b-estradiol-1,4,16,16,17-d5 |
| Estra-1(10),2,4-triene-17-d-2,3,17-triol, (17β)- |
| 2-Hydroxy-17-estradiol-d5 |
| 2-Hydroxyestradiol-1,4,16,16,17-d5 |
