Estrone sulfate

Base Information

• Chemical Name: Estrone sulfate
• CAS No.: 481-97-0
• Molecular Formula: C18H22 O5 S
• Molecular Weight: 350.436
• European Community (EC) Number: 207-575-9,207-120-4
• UNII: QTL48N278K
• DSSTox Substance ID: DTXSID50891501
• Nikkaji Number: J5.782G
• Wikipedia: Estrone_sulfate
• Wikidata: Q5401864
• NCI Thesaurus Code: C1091
• Pharos Ligand ID: 72BG4HAW4379
• Metabolomics Workbench ID: 35301
• ChEMBL ID: CHEMBL494753
• Mol file: 481-97-0.mol

Synonyms:estrone sulfate;estrone sulfate, 14C-labeled;estrone sulfate, 16-(14)C-labeled;estrone sulfate, ammonium salt;estrone sulfate, potassium salt;estrone sulfate, sodium salt;estrone-3-sulfate;Evex;oestrone sulphate;potassium estrone sulfate;sodium estrone sulfate

Chemical Property of Estrone sulfate

Chemical Property:

• Melting Point: 210 °C (decomp)
• Boiling Point: °Cat760mmHg
• PKA: -3.84±0.18(Predicted)
• Flash Point: °C
• PSA: 91.88000
• Density: g/cm³
• LogP: 4.03160
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 350.11879497
• Heavy Atom Count: 24
• Complexity: 624

Purity/Quality:

99%, ^*data from raw suppliers

PREMARIN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CCC4=C3C=CC(=C4)OS(=O)(=O)O
• Recent ClinicalTrials: Estrogen Priming to Increase the Efficacy of Adjuvant Chemotherapy in Operable Breast Cancer
• Recent EU Clinical Trials: A parallel-group, double-blind, randomized, placebo-controlled,
• Uses: Estrone Sulfate is a precursor of estrogen and is a circulating steroid found in men, non-pregnant women, and post-menopausal women.

Technology Process of Estrone sulfate

There total 3 articles about Estrone sulfate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 95.7%

Estrone (53-16-7) → estrone sulfate (481-97-0)

Guidance literature:

With pyridine; triethylamine sulfur trioxide; at 55 - 60 ℃; Reagent/catalyst; Temperature;

Reference yield:

estradiol (50-28-2) → Estrone (53-16-7) + estrone sulfate (481-97-0) + α-estradiol (57-91-0) + estradiol-3-sulfate (481-96-9) + 17-alpha-estradiol-3-sulfate (22139-70-4) + estradiol-17ξ 17-sulfate (3233-69-0,47328-45-0)

Guidance literature:

Product distribution; Mechanism; metabolism after i. v. injection in White Leghorn laying hens, <3H>labelled;

DOI:10.1016/0039-128X(84)90059-X

Reference yield:

→ Δ1,3,5(10)-Oestratrienon-(17)-yl-(3)-sulfat (481-97-0)

Guidance literature:

DOI:10.1016/0039-128X(69)90094-4

upstream raw materials:

estradiol

Estrone

Downstream raw materials:

Estrone

piperazine oestrone sulphate

Refernces

• 1、 Park, Byoung C.,Lee, Young C.,Strott, Charles A.. "Testosterone sulfotransferase: Evidence in the guinea pig that this reaction is carried out by 3α-hydroxysteroid sulfotransferase". . p. 510 - 517. Retrieved 2007/10/03.
• 2、 Fex,Lundvall,Olsson. "Hydrogen sulfates of natural estrogens.". . p. 254 - 264. Retrieved 2007/10/06.