Dehydroepiandrosterone sulfate sodium salt hydrate - Moligand™,≥98% , CAS No.78590-17-7

CAS: 78590-17-7 Cat. No.: D1510278 Molecular Weight: 426.50

GRADE & PURITY Moligand™, ≥98%

Synonyms

Sodium dehydroepiandrosterone sulfate | Prasterone sulfate sodium salt dihydrate | 5-Androsten-3β-ol-17-one sulfate sodium salt dihydrate

Storage

Room temperature,Desiccated,Cool

Shipped In

Normal

Overview

Prasterone is an endogenous steroid hormone. Prasterone acts as an agonist at ERβ, NMDA, and σ1 receptors, a partial agonist at ERα and AR, and antagonist at GABA-A receptors. It displays a variety of biologocial activities, including enhancing working memory and cognition, inhibiting proliferation and migration of cervical cancer cells, increasing expression of various glutamate transporters to suppress seizures, and minimizing lipid peroxidation, gastric acid secretion and ulcer formation.

Specifications

Synonyms

Sodium dehydroepiandrosterone sulfate | Prasterone sulfate sodium salt dihydrate | 5-Androsten-3β-ol-17-one sulfate sodium salt dihydrate

Specifications & Purity

Moligand™, ≥98%

Storage

Room temperature, Desiccated, Cool

Shipped In

Normal

Grade

Moligand™

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)OS(=O)(=O)[O-])C.O.O.[Na+]
• IUPAC Name: sodium;[(3S,8R,9S,10R,13S,14S)-10,13-dimethyl-17-oxo-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl] sulfate;dihydrate
• InChIKey: NLNMKDUYGPNWAO-OXNWJOIVSA-M
• INCHI: 1S/C19H28O5S.Na.2H2O/c1-18-9-7-13(24-25(21,22)23)11-12(18)3-4-14-15-5-6-17(20)19(15,2)10-8-16(14)18;;;/h3,13-16H,4-11H2,1-2H3,(H,21,22,23);;2*1H2/q;+1;;/p-1/t13-,14-,15-,16-,18-,19-;;;/m0.../s1
• 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.O.O.[Na+]
• WGK Germany: 3
• Molecular Weight: 426.50

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Class Steroids and steroid derivatives
      • Subclass Sulfated steroids

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Class: Steroids and steroid derivatives
• Subclass: Sulfated steroids
• Intermediate Tree Nodes: Not available
• Direct Parent: Sulfated steroids
• Alternative Parents: Androstane steroids 17-oxosteroids Delta-5-steroids Sulfuric acid monoesters Alkyl sulfates Ketones Organic sodium salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Sulfated steroid skeleton - Androstane-skeleton - 17-oxosteroid - Oxosteroid - Delta-5-steroid - Sulfuric acid monoester - Sulfuric acid ester - Alkyl sulfate - Sulfate-ester - Organic sulfuric acid or derivatives - Ketone - Organic alkali metal salt - Organic sodium salt - Hydrocarbon derivative - Organooxygen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organic salt - Aliphatic homopolycyclic compound
• Description: This compound belongs to the class of organic compounds known as sulfated steroids. These are sterol lipids containing a sulfate group attached to the steroid skeleton.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Molecular Weight: 426.500 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 426.169 Da
• Monoisotopic Mass: 426.169 Da
• Topological Polar Surface Area: 93.900 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 727.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 6
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 4

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