Dehydroepiandrosterone sulfate - Moligand™, ≥98% , CAS No.651-48-9

CAS: 651-48-9 Cat. No.: D609795 Fórmula: C₁₉H₂₈O₅S Peso molecular: 368.49 Número CE: 214-152-2 PubChem CID: 12594

GRADE & PURITY Moligand™, ≥98%

Synonyms

17-oxo-8alpha,10alpha,13alpha,14beta-androst-5-en-3alpha-yl hydrogen sulfate | AKOS027320789 | KB60 | LMST05020010 | Dehydroepiandrosterone sulfate; DHEA sulfate; DHEA-S | 3beta-hydroxy-Androst-5-en-17-one hydrogen sulfate | 3b-Hydroxy-Androst-5-en-17-one

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Dehydroepiandrosterone sulfate is a neurosteroid and a major adrenal secretion product. It has both non-competitive antagonist activity at GABAA receptors and agonist activity at σ1 receptors. It can partially penetrate the blood-brain barrier, inhibit GABAA receptor-mediated chloride ion influx, enhance NMDA receptor activity through σ1 receptors, exert anti-inflammatory, anti-glucocorticoid, and increase seizure sensitivity. It participates in neuroprotection, regulation of neurite outgrowth, and catecholamine secretion, and may also serve as a biomarker for cardiovascular disease mortality.

Specifications

Sinónimos

17-oxo-8alpha,10alpha,13alpha,14beta-androst-5-en-3alpha-yl hydrogen sulfate | AKOS027320789 | KB60 | LMST05020010 | Dehydroepiandrosterone sulfate; DHEA sulfate; DHEA-S | 3beta-hydroxy-Androst-5-en-17-one hydrogen sulfate | 3b-Hydroxy-Androst-5-en-17-one

Especificações e pureza

Moligand™, ≥98%

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

528764272

Sorrisos canónicos

CC12CCC3C(C1CCC2=O)CC=C4C3(CCC(C4)OS(=O)(=O)O)C

IUPAC Name

[(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] hydrogen sulfate

InChIKey

CZWCKYRVOZZJNM-USOAJAOKSA-N

INCHI

1S/C19H28O5S/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)/t13-,14-,15-,16-,18-,19-/m0/s1

SMILES isoméricas

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

CAS alternativo

651-48-9,1099-87-2

PubChem CID

12594

Termos de entrada MeSH

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

Peso molecular

368.49

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: 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 oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Sulfated steroid skeleton - Androstane-skeleton - 17-oxosteroid - Oxosteroid - Delta-5-steroid - Sulfuric acid ester - Alkyl sulfate - Sulfuric acid monoester - Sulfate-ester - Organic sulfuric acid or derivatives - Ketone - Hydrocarbon derivative - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Aliphatic homopolycyclic compound
• Descrição: 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: Sulfates

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

Alvos associados (humanos)

STS Tchem Steryl-sulfatase (1865 Activities)

Discover Target: STS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AOX1 Tchem Aldehyde oxidase (429 Activities)

Discover Target: AOX1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GPBAR1 Tchem G-protein coupled bile acid receptor 1 (1723 Activities)

Discover Target: GPBAR1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ABCG2 Tchem ATP-binding cassette sub-family G member 2 (4927 Activities)

Discover Target: ABCG2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ABCC2 Tchem Canalicular multispecific organic anion transporter 1 (1191 Activities)

Discover Target: ABCC2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLC22A8 Tclin Solute carrier family 22 member 8 (241 Activities)

Discover Target: SLC22A8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLCO1B1 Tchem Solute carrier organic anion transporter family member 1B1 (2672 Activities)

Discover Target: SLCO1B1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLCO1B3 Tchem Solute carrier organic anion transporter family member 1B3 (2517 Activities)

Discover Target: SLCO1B3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLCO1A2 Tchem Solute carrier organic anion transporter family member 1A2 (104 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLCO2B1 Tchem Solute carrier organic anion transporter family member 2B1 (580 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ABCC4 Tchem Multidrug resistance-associated protein 4 (785 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLC22A11 Tclin Solute carrier family 22 member 11 (82 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ABCC11 Tbio ATP-binding cassette sub-family C member 11 (24 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ABCC2 Tchem Canalicular multispecific organic anion transporter 1/Solute carrier organic anion transporter family member 1B1 (10 Activities)

Discover Target: ABCC2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Alvos associados (não humanos)

Abcc1 Multidrug resistance-associated protein 1 (42 Activities)

Discover Target: Abcc1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Slco1a1 Solute carrier organic anion transporter family member 1A1 (265 Activities)

Discover Target: Slco1a1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Slco1a4 Solute carrier organic anion transporter family member 1A4 (114 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Slco1b2 Solute carrier organic anion transporter family member 1B2 (36 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Slco1c1 Solute carrier organic anion transporter family member 1C1 (11 Activities)

Discover Target: Slco1c1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Slco1a5 Solute carrier organic anion transporter family member 1A5 (48 Activities)

Discover Target: Slco1a5

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Slco1a3 Solute carrier organic anion transporter family member 1A3 (65 Activities)

Discover Target: Slco1a3

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de ação

Propriedades químicas e físicas

• Sensibilidade: DMSO : 100 mg/mL (271.38 mM; Need ultrasonic)
• Peso molecular: 368.500 g/mol
• XLogP3: 2.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 368.166 Da
• Monoisotopic Mass: 368.166 Da
• Topological Polar Surface Area: 89.100 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 721.000
• 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: 1