5-Methoxytryptophol(5-MTOH) - Moligand™,≥97% , CAS No.712-09-4

CAS: 712-09-4 Cat. No.: M344167 Fórmula: C₁₁H₁₃NO₂ Peso molecular: 191.23 Número EC: 211-919-3

GRADE & PURITY Moligand™, ≥97%

Synonyms

AMY6404 | 4,6(1H,5H)-Pyrimidinedione,2,5-diamino-(6CI,7CI,9CI) | 3Y-5037 | NCGC00163352-01 | 2-(5-METHOXY-1H-INDOL-3-YL)-1-ETHANOL | 3-(2-Hydroxyethyl)-5-Methoxy-1H-indole | SCHEMBL676574 | MFCD00047196 | M-3580 | 5-Methoxytryptophol, analytical standard

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

5-Methoxytryptophol is a methoxyindole compound present in the pineal gland. 5-Methoxytryptophol is present in human plasma and peaks of activity occur both in the day and during the hours of darkness. The duck pineal gland rhythmically produces two 5-methoxyindole compounds, i.e. 5-methoxytryptophol and melatonin. 5-Methoxytryptophol levels are low at night and high during the day, while melatonin concentrations are high at night and low during the day. These findings indicate that in the duck the pineal production of 5-methoxytryptophol and melatonin may be inversely correlated.

Specifications

Sinónimos

AMY6404 | 4,6(1H,5H)-Pyrimidinedione,2,5-diamino-(6CI,7CI,9CI) | 3Y-5037 | NCGC00163352-01 | 2-(5-METHOXY-1H-INDOL-3-YL)-1-ETHANOL | 3-(2-Hydroxyethyl)-5-Methoxy-1H-indole | SCHEMBL676574 | MFCD00047196 | M-3580 | 5-Methoxytryptophol, analytical standard

Especificaciones y pureza

Moligand™,≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 528761941
• Sonrisas canónicas: COC1=CC2=C(C=C1)NC=C2CCO
• IUPAC Name: 2-(5-methoxy-1H-indol-3-yl)ethanol
• InChIKey: QLWKTGDEPLRFAT-UHFFFAOYSA-N
• INCHI: 1S/C11H13NO2/c1-14-9-2-3-11-10(6-9)8(4-5-13)7-12-11/h2-3,6-7,12-13H,4-5H2,1H3
• Isómeros SMILES: COC1=CC2=C(C=C1)NC=C2CCO
• Peso molecular: 191.23
• Reaxy-Rn: 145680
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=145680&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Indoles and derivatives
      • Subclass Indoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Indoles and derivatives
• Subclass: Indoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 3-alkylindoles
• Alternative Parents: Anisoles Alkyl aryl ethers Substituted pyrroles Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-alkylindole - Anisole - Alkyl aryl ether - Substituted pyrrole - Benzenoid - Pyrrole - Heteroaromatic compound - Ether - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Alcohol - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 3-alkylindoles. These are compounds containing an indole moiety that carries an alkyl chain at the 3-position.
• 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

Objetivos asociados (humanos)

CYP2D6 Tclin Cytochrome P450 2D6 (33882 Activities)

Discover Target: CYP2D6

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 191.230 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 191.095 Da
• Monoisotopic Mass: 191.095 Da
• Topological Polar Surface Area: 45.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 186.000
• 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