Dehydroepiandrosterone sulfate

Base Information

• Chemical Name: Dehydroepiandrosterone sulfate
• CAS No.: 651-48-9
• Deprecated CAS: 1095-56-3,601-36-5
• Molecular Formula: C19H28 O5 S
• Molecular Weight: 368.494
• European Community (EC) Number: 214-152-2
• UNII: 57B09Q7FJR
• DSSTox Substance ID: DTXSID8040228
• Nikkaji Number: J412.303D
• Wikipedia: Dehydroepiandrosterone_sulfate,Prasterone_sodium_sulfate,Prasterone_sulfate
• Wikidata: Q2505402
• Metabolomics Workbench ID: 36953
• ChEMBL ID: CHEMBL259898
• Mol file: 651-48-9.mol

Synonyms:Dehydroepiandrosterone Sulfate;Dehydroisoandrosterone Sulfate;DHA Sulfate;DHEA Sulfate;Prasterone Sulfate;Sulfate, Dehydroepiandrosterone;Sulfate, Dehydroisoandrosterone;Sulfate, DHA;Sulfate, DHEA;Sulfate, Prasterone

Chemical Property of Dehydroepiandrosterone sulfate

Chemical Property:

• Melting Point: 190-192 °C
• Refractive Index: 1.5300 (estimate)
• Boiling Point: 468.81°C (rough estimate)
• PKA: -3.51±0.18(Predicted)
• PSA: 89.05000
• Density: 1.3g/cm³
• LogP: 4.78710
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 368.16574516
• Heavy Atom Count: 25
• Complexity: 721

Purity/Quality:

99%, ^*data from raw suppliers

DEHYDROEPIANDROSTERONE SULFATE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)OS(=O)(=O)O)C
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CCC2=O)CC=C4[C@@]3(CC[C@@H](C4)OS(=O)(=O)O)C
• Recent ClinicalTrials: Safety and Efficacy of Chloroquine Associated With Dehydroepiandrosterone Sulphate to Treat Uncomplicated Falciparum Malaria

Technology Process of Dehydroepiandrosterone sulfate

There total 6 articles about Dehydroepiandrosterone 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:

dehydroepiandrosterone (53-43-0) → dehydroepiandrosterone sulfate (651-48-9,1095-56-3)

Guidance literature:

With [35S]-3′-phosphoadenosine-5′-phosphosulfate; phosphate buffer; male Sprague-Dawley rat gastric mucosa cytosol sulfotransferase; Sucrose; Product distribution;

DOI:10.1016/0039-128X(80)90052-5

Reference yield:

pyridine-SO3 complex (42824-16-8) + dehydroepiandrosterone (53-43-0) → dehydroepiandrosterone sulfate (651-48-9,1095-56-3)

Guidance literature:

With benzene; als Pyridinium-Salz;

Reference yield:

→ dehydroepiandrosterone sulfate (651-48-9,1095-56-3)

Guidance literature:

upstream raw materials:

pyridine-SO₃ complex

dehydroepiandrosterone

Downstream raw materials:

(3S)-3-tert-butyldimethylsilyloxyandrost-5-en-17-one

dehydroepiandrosterone

6β-hydroxy-3α,5-cycloandrostan-17-one

Refernces

• 1、 Kakuta, Yoshimitsu,Pedersen, Lars C.,Chae, Kun,Song, Wen-Chao,Leblanc, Darryl,London, Robert,Carter, Charles W.,Negishi, Masahiko. "Mouse steroid sulfotransferases. Substrate specificity and preliminary X-ray crystallographic analysis". . p. 313 - 317. Retrieved 2007/10/03.
• 2、 Adams, J. B.,McDonald, D.. "ENZYMIC SYNTHESIS OF STEROID SULFATES XVI. SPECIFICITY AND REGULATION OF HUMAN ADRENAL HYDROXYSTEROID SULFOTRANSFERASE". . p. 575 - 586. Retrieved 2007/10/02.