CAS 285979-80-8|Estrone sulfate-d4 sodium
Introduction：Basic information about CAS 285979-80-8|Estrone sulfate-d4 sodium, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Estrone sulfate-d4 sodium | ||
|---|---|---|---|
| CAS Number | 285979-80-8 | Molecular Weight | 376.44 |
| Density | / | Boiling Point | / |
| Molecular Formula | C18H17D4NaO5S | Melting Point | 300ºC(lit.) |
| MSDS | ChineseUSA | Flash Point | / |
| Symbol | GHS07, GHS08 | Signal Word | Danger |
Names
| Name | sodium,[(8R,9S,13S,14S)-2,4,16,16-tetradeuterio-13-methyl-17-oxo-6,7,8,9,11,12,14,15-octahydrocyclopenta[a]phenanthren-3-yl] sulfate |
|---|---|
| Synonym | More Synonyms |
Estrone sulfate-d4 sodium BiologicalActivity
| Description | Estrone sulfate-d4 (sodium) is deuterium labeled Estrone sulfate (sodium). Estrone sulfate, a biologically inactive form of estrogen, is a major circulating plasma estrogen that is converted into the biologically active estrogen, estrone (E1) by steroid sulfatase (STS). strone sulfate can be used for the research of breast cancer[1][2]. |
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| Related Catalog | Signaling Pathways >>Others >>Estrogen Receptor/ERRResearch Areas >>Cancer |
| 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]. Duncan L, et al. Inhibition of estrone sulfatase activity by estrone-3-methylthiophosphonate: a potential therapeutic agent in breast cancer. Cancer Res. 1993;53(2):298-303. [2]. Karakus E, et al. Estrone-3-Sulfate Stimulates the Proliferation of T47D Breast Cancer Cells Stably Transfected With the Sodium-Dependent Organic Anion Transporter SOAT (SLC10A6). Front Pharmacol. 2018;9:941. Published 2018 Aug 21. [3]. Nakamura Y, et al. Steroid sulfatase and estrogen sulfotransferase in the atherosclerotic human aorta. Am J Pathol. 2003;163(4):1329-1339. [4]. Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019;53(2):211-216. |
Chemical & Physical Properties
| Melting Point | 300ºC(lit.) |
|---|---|
| Molecular Formula | C18H17D4NaO5S |
| Molecular Weight | 376.44 |
| Exact Mass | 354.14400 |
| PSA | 89.05000 |
| LogP | 4.37420 |
| InChIKey | VUCAHVBMSFIGAI-IGBMKMNFSA-M |
| SMILES | CC12CCC3c4ccc(OS(=O)(=O)[O-])cc4CCC3C1CCC2=O.[Na+] |
| Storage condition | -20°C |
Safety Information
| Symbol | GHS07, GHS08 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H315-H319-H335-H350-H360 |
| Precautionary Statements | P201-P261-P305 + P351 + P338-P308 + P313 |
| Personal Protective Equipment | Eyeshields;full-face particle respirator type N100 (US);Gloves;respirator cartridge type N100 (US);type P1 (EN143) respirator filter;type P3 (EN 143) respirator cartridges |
| Hazard Codes | Xi |
| RIDADR | NONH for all modes of transport |
Synonyms
| Estrone-2,4,16,16-d4 3-sulfate sodium salt |
| MFCD01317421 |
