438-67-5

Basic information

• Product Name: ESTRONE 3-SULFATE SODIUM SALT
• Synonyms: ESTRONE SODIUM SULPHATE;ESTRONE SULFATE SODIUM;ESTRONE 3-SULFATE SODIUM SALT;3-HYDROXY-1,3,5[10]-ESTRATRIEN-17-ONE 3-SULFATE SODIUM SALT;3-HYDROXY-1,3,5(10)-ESTRATRIEN-17-ONE 3-SULPHATE;1,3,5(10)-ESTRATRIEN-3-OL-17-ONE 3-SULFATE SODIUM;1,3,5[10]-ESTRATRIEN-3-OL-17-ONE SULFATE SODIUM SALT;1,3,5(10)-ESTRATRIEN-3-OL-17-ONE SULPHATE, SODIUM SALT
• CAS NO: 438-67-5
• Molecular Formula: C₁₈H₂₁O₅S*Na
• Molecular Weight: 372.41
• EINECS: 207-120-4
• Product Categories: Intermediates & Fine Chemicals;Pharmaceuticals;Steroids
• Mol File: 438-67-5.mol

Chemical Properties

• Melting Point: 258-260°C
• Appearance: /
• Density: 1.349 g/cm³
• Storage Temp.: −20°C
• Solubility: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
• Stability: Hygroscopic
• CAS DataBase Reference: ESTRONE 3-SULFATE SODIUM SALT(CAS DataBase Reference)
• NIST Chemistry Reference: ESTRONE 3-SULFATE SODIUM SALT(438-67-5)
• EPA Substance Registry System: ESTRONE 3-SULFATE SODIUM SALT(438-67-5)

Safety Data

• Hazard Codes: T
• Statements: 45-36/37/38
• Safety Statements: 53-45-26
• WGK Germany: 3
• RTECS: KG8775000
• Hazardous Substances Data: 438-67-5(Hazardous Substances Data)

Usage

Uses

Used in Hormone Replacement Therapy:
ESTRONE 3-SULFATE SODIUM SALT is used as an estrogen replacement agent for hormone replacement therapy. It helps in addressing various symptoms associated with menopause, such as hot flashes, night sweats, and vaginal dryness. Additionally, it can be used to prevent osteoporosis and maintain overall bone health in postmenopausal women.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, ESTRONE 3-SULFATE SODIUM SALT is used as a key ingredient in the formulation of various hormone-based medications. It plays a crucial role in the development and production of drugs that target hormone-related conditions and disorders.

Safety Profile

Confirmed carcinogen. Experimental reproductive effects. When heated to decomposition it emits toxic fumes of SOx.

InChI:InChI=1/C18H22O5S.Na/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/t14-,15-,16+,18+;/m1./s1

Upstream product

• 53-16-7 Estrone 
• 878408-57-2 estrone neopentyl sulfate 
• 57711-40-7 3-(O-tert-butyl(dimethyl)silyl)estrone 

Downstream Products

• 53-16-7 Estrone 

Relevant articles and documents

A General Approach to O-Sulfation by a Sulfur(VI) Fluoride Exchange Reaction

O-sulfation is an important chemical code widely existing in bioactive molecules, but the scalable and facile synthesis of complex bioactive molecules carrying O-sulfates remains challenging. Reported here is a general approach to O-sulfation by the sulfur(VI) fluoride exchange (SuFEx) reaction between aryl fluorosulfates and silylated hydroxy groups. Efficient sulfate diester formation was achieved through systematic optimization of the electronic properties of aryl fluorosulfates. The versatility of this O-sulfation strategy was demonstrated in the scalable syntheses of a variety of complex molecules carrying sulfate diesters at various positions, including monosaccharides, disaccharides, an amino acid, and a steroid. Selective hydrolytic and hydrogenolytic removal of the aryl masking groups from sulfate diesters yielded the corresponding O-sulfate products in excellent yields. This strategy provides a powerful tool for the synthesis of O-sulfate bioactive compounds.

A comprehensive approach to the synthesis of sulfate esters

A comprehensive approach to the synthesis of sulfate esters was developed. This approach permits the direct and high-yielding synthesis of protected sulfate monoesters. Subsequent deblocking to reveal sulfate monoesters is accomplished in near-quantitative yield. The exceptionally stable neopentyl protecting group and the labile isobutyl protecting group were utilized in the synthesis of aromatic and aliphatic sulfate monoesters. Strategies for tuning protecting group reactivity were also explored and developed.

Process for isolating conjugated estrogens

The present invention relates to a process for extracting conjugated estrogens from pregnant mare urine. The present invention further relates to a process for obtaining a natural mixture of conjugated estrogens. The mixture of conjugated estrogens can be used to prepare products for estrogen replacement therapy or hormone replacement therapy. More specifically, the process for extracting conjugated estrogens from PMU comprises the steps of (a) contacting a mare urine material (MUM) with a resin to adsorb phenolic components, (b) contacting the phenolics-depleted MUM of step (a) with a resin to adsorb the stone and equilin, the major estrogen components, (c) containing the major estrogen-depleted MUM of step (b) with a resin to adsorb the minor estrogen components, (d) separately desorbing the major estrogen components and the minor estrogen components from the resins used in steps (b) and (c), and (e) separately treating the desorbed material form step (d) to obtain crystals of the major estrogen components and the minor estrogen components.