Tryptophol - ≥97%(GC) , CAS No.526-55-6

CAS: 526-55-6 Cat. No.: T112368 Fórmula: C₁₀H₁₁NO Peso molecular: 161.2 Beilstein Registry Number: 125553 Número EC: 208-393-2 PubChem CID: 10685

CALIDAD & PUREZA ≥97%(GC)

Synonyms

EINECS 208-393-2 | SB14961 | Z1123806416 | FT-0600657 | ISUPSL100239 | Q5479351 | 1H-Indolyl-3-ethanol | AC-3286 | ETHANOL, 3-INDOLYL- | TRYPTOPHOL [MI] | WLN: T56 BMJ D2Q | CCG-266289 | DTXSID2060173 | Ethanol, 2-indol-3-yl- | 2-(3-INDOLE)ETHANOL | 3-.BE

Storage

Desiccated,Room temperature

Shipped In

Normal

Descripción general

Reactant for preparation of Inhibitors of the C-terminal domain of RNA polymerase II and their antitumor activities，Anti-HIV-1 agents， Inhibitors of Protein-Protein Interactions，Partial agonists of the serotonin 5-HT1A receptor，Growth hormone secretagogues，Vascular endothelial growth factor (VEGF) inhibitors，A2B adenosine receptor ligands， Potential detoxification inhibitors of the crucifer phytoalexin brassinin， Inhibitors of interleukine 6，Dual binding site acetylcholinesterase inhibitors.

Especificaciones

Sinónimos

EINECS 208-393-2 | SB14961 | Z1123806416 | FT-0600657 | ISUPSL100239 | Q5479351 | 1H-Indolyl-3-ethanol | AC-3286 | ETHANOL, 3-INDOLYL- | TRYPTOPHOL [MI] | WLN: T56 BMJ D2Q | CCG-266289 | DTXSID2060173 | Ethanol, 2-indol-3-yl- | 2-(3-INDOLE)ETHANOL | 3-.BE

Especificaciones y pureza

≥97%(GC)

Condiciones de almacenamiento de almacenamiento

Desiccated,Room temperature

Enviado en

Normal

Pureza

≥97%(GC)

Nombres e identificadores

Pubchem Sid

504751985

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751985

Sonrisas canónicas

C1=CC=C2C(=C1)C(=CN2)CCO

IUPAC Name

2-(1H-indol-3-yl)ethanol

InChIKey

MBBOMCVGYCRMEA-UHFFFAOYSA-N

INCHI

1S/C10H11NO/c12-6-5-8-7-11-10-4-2-1-3-9(8)10/h1-4,7,11-12H,5-6H2

Isómeros SMILES

C1=CC=C2C(=C1)C(=CN2)CCO

WGK Alemania

3

RTECS

KL3685000

PubChem CID

10685

Peso molecular

161.2

Beilstein

125553

Reaxy-Rn

125553

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: Substituted pyrroles Benzenoids Heteroaromatic compounds Azacyclic compounds Primary alcohols Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 3-alkylindole - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Organonitrogen compound - Alcohol - 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)

GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

Discover Target: GLP1R

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

SH-SY5Y (11521 Activities)

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U-251 (51189 Activities)

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HaCaT (4069 Activities)

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

NTRK2 Tclin Neurotrophic tyrosine kinase receptor type 2 (3279 Activities)

Discover Target: NTRK2

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

BRCA1 Tchem Breast cancer type 1 susceptibility protein (15908 Activities)

Discover Target: BRCA1

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

Objetivos asociados (no humanos)

Plenodomus lingam (178 Activities)

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Plasmodium falciparum (966862 Activities)

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N2a (708 Activities)

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Rhizoctonia solani (2251 Activities)

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Laetisaria fuciformis (2 Activities)

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Cryphonectria parasitica (24 Activities)

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Magnaporthiopsis poae (2 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Slightly soluble in water; Soluble in Alcohol,Acetone,Ether
• Sensibilidad: Light sensitive.
• Punto de inflamación (°F): 255℃
• Punto de inflamación (°C): 255℃
• Punto de ebullición (°C): 174°C
• Punto de fusión (°C): 57-60°C
• Peso molecular: 161.200 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 161.084 Da
• Monoisotopic Mass: 161.084 Da
• Topological Polar Surface Area: 36.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 149.000
• 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