5-Hydroxytryptophol - ≥98% , CAS No.154-02-9

CAS: 154-02-9 Cat. No.: H274750 Fórmula: C₁₀H₁₁NO₂ Peso molecular: 177.2

GRADE & PURITY ≥98%

Synonyms

FT-0670204 | 1H-Indole-3-ethanol, 5-hydroxy- | NSC 84416 | SCHEMBL233744 | 5-Hydroxy Tryptophol | Hydroxytryptophol | UNII-52MNE52QA1 | US10544152, Cpd # 27 | 5-Hydroxy-1H-indole-3-ethanol | AS-37867 | 5-hydroxy-3-(2-hydroxyethyl)indole | 5-hydroxy-3-(2-h

Storage

Protected from light,Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Visão geral

Product Describtion:

5-Hydroxytryptophol is a mammalian serotonin metabolite, acting as a marker of acute alcohol consumption.

Product Application:

Metabolomics research

Specifications

Sinónimos

FT-0670204 | 1H-Indole-3-ethanol, 5-hydroxy- | NSC 84416 | SCHEMBL233744 | 5-Hydroxy Tryptophol | Hydroxytryptophol | UNII-52MNE52QA1 | US10544152, Cpd # 27 | 5-Hydroxy-1H-indole-3-ethanol | AS-37867 | 5-hydroxy-3-(2-hydroxyethyl)indole | 5-hydroxy-3-(2-h

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

Endogenous serotonin structural analog. L-tryptophan metabolite. Competitively inhibits serotonin glucuronidation and UDP-glucuronosyltransferase (K i values are 291 and 200 μM respectively). Blood-brain barrier permeable.

Condições de armazenamento de armazenamento

Protected from light,Store at -20°C,Argon charged

Enviado em

Ice chest + Ice pads

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

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

504751786

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751786

Sorrisos canónicos

C1=CC2=C(C=C1O)C(=CN2)CCO

IUPAC Name

3-(2-hydroxyethyl)-1H-indol-5-ol

InChIKey

KQROHCSYOGBQGJ-UHFFFAOYSA-N

INCHI

1S/C10H11NO2/c12-4-3-7-6-11-10-2-1-8(13)5-9(7)10/h1-2,5-6,11-13H,3-4H2

SMILES isoméricas

C1=CC2=C(C=C1O)C(=CN2)CCO

Peso molecular

177.2

Reaxy-Rn

143517

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=143517&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Hydroxyindoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Hydroxyindoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Hydroxyindoles
• Alternative Parents: 3-alkylindoles 1-hydroxy-2-unsubstituted benzenoids Substituted pyrroles Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-alkylindole - Hydroxyindole - Indole - 1-hydroxy-2-unsubstituted benzenoid - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Azacycle - Organic oxygen compound - Alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as hydroxyindoles. These are organic compounds containing an indole moiety that carries a hydroxyl group.
• External Descriptors: a small molecule

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

• Solubilidade: Soluble in water to 10 mM and in DMSO to 100 mM
• Sensibilidade: light sensitive
• Peso molecular: 177.200 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 177.079 Da
• Monoisotopic Mass: 177.079 Da
• Topological Polar Surface Area: 56.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 174.000
• 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 ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

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.

How should this product be stored?

Store at ?20 °C, protected from light, under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

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

The CAS Number is 154-02-9, the molecular formula is C10H11NO2, and the molecular weight is 177.2 g/mol. InChIKey KQROHCSYOGBQGJ-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.