Dopamine 4-O-Sulfate - ≥95% , CAS No.38339-02-5

CAS: 38339-02-5 Cat. No.: D349660 Fórmula: C₈H₁₁NO₅S Peso molecular: 233.24 Número CE: 112-503-3

GRAU & PUREZA ≥95%

Synonyms

Dopamine 4-sulfate | 3-Hydroxytyramine-4-O-sulfate | [4-(2-aminoethyl)-2-hydroxyphenyl] hydrogen sulfate | Dopamine sulfate

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

Dopamine 4-sulfate is a major circulating plasma metabolite and urinary metabolite of dopamine formed by cytosolic sulfotransferase 1A3 (SULT1A3) from both exogenous and endogenous dopamine. Dopamine 4-sulfate has been shown to bind to the GABA receptor, but not to D1 or D2 dopamine receptors. Dopamine 4-sulfate is 10 times more abundant than isomeric dopamine 3-sulfate and is considered a potential biomarker for banana and other fruits consumption.

Especificações

Sinónimos

Dopamine 4-sulfate | 3-Hydroxytyramine-4-O-sulfate | [4-(2-aminoethyl)-2-hydroxyphenyl] hydrogen sulfate | Dopamine sulfate

Especificações e pureza

≥95%

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.

Pureza

≥95%

Nomes e identificadores

Sorrisos canónicos

C1=CC(=C(C=C1CCN)O)OS(=O)(=O)O

IUPAC Name

[4-(2-aminoethyl)-2-hydroxyphenyl] hydrogen sulfate

InChIKey

DEKNNWJXAQTLFA-UHFFFAOYSA-N

INCHI

1S/C8H11NO5S/c9-4-3-6-1-2-8(7(10)5-6)14-15(11,12)13/h1-2,5,10H,3-4,9H2,(H,11,12,13)

SMILES isoméricas

C1=CC(=C(C=C1CCN)O)OS(=O)(=O)O

Número UN

3077

Grupo de embalagem

III

Peso molecular

233.24

Reaxy-Rn

4456909

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4456909&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Classe Organic sulfuric acids and derivatives
      • Subclass Arylsulfates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Classe: Organic sulfuric acids and derivatives
• Subclass: Arylsulfates
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylsulfates
• Alternative Parents: Phenethylamines Phenoxy compounds 2-arylethylamines Aralkylamines 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Sulfuric acid monoesters Organopnictogen compounds Organooxygen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Phenylsulfate - Phenethylamine - Phenoxy compound - 2-arylethylamine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Monocyclic benzene moiety - Sulfuric acid monoester - Sulfate-ester - Sulfuric acid ester - Benzenoid - Primary amine - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Amine - Primary aliphatic amine - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylsulfates. These are compounds containing a sulfuric acid group conjugated to a phenyl group.
• External Descriptors: aryl sulfate

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

Propriedades químicas e físicas

• Sensibilidade: Hygroscopic
• Ponto de fusão (°C): 256-258° C
• Peso molecular: 233.240 g/mol
• XLogP3: -2.300
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 233.036 Da
• Monoisotopic Mass: 233.036 Da
• Topological Polar Surface Area: 118.000 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 286.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥95% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 38339-02-5, the molecular formula is C8H11NO5S, and the molecular weight is 233.24 g/mol. InChIKey DEKNNWJXAQTLFA-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.