285979-80-8

285979-80-8 structure
285979-80-8 structure
  • Name: Estrone sulfate-d4 sodium
  • Chemical 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
  • CAS Number: 285979-80-8
  • Molecular Formula: C18H17D4NaO5S
  • Molecular Weight: 376.44
  • Catalog: Research Areas Cancer
  • Create Date: 2019-01-25 14:11:04
  • Modify Date: 2024-01-06 17:38:45
  • 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].

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
Synonyms Estrone-2,4,16,16-d4 3-sulfate sodium salt
MFCD01317421
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].
Related Catalog
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.

Melting Point 300ºC(lit.)
Molecular Formula C18H17D4NaO5S
Molecular Weight 376.44
Exact Mass 354.14400
PSA 89.05000
LogP 4.37420
Storage condition -20°C
Symbol GHS07 GHS08
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