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

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

QUALITÀ & PUREZZA ≥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

Panoramica

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.

Specifiche

Sinonimi

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

Specifiche e purezza

≥97%(GC)

Condizioni di conservazione di stoccaggio

Desiccated,Room temperature

Spedito in

Normal

Purezza

≥97%(GC)

Nomi e identificatori

Pubchem Sid

504751985

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

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

WGK Germania

3

RTECS

KL3685000

PubChem CID

10685

Peso molecolare

161.2

Beilstein

125553

Reaxy-Rn

125553

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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
• Descrizione: 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

Obiettivi associati (umani)

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

Discover Target: GLP1R

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SH-SY5Y (11521 Activities)

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U-251 (51189 Activities)

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HaCaT (4069 Activities)

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

Discover Target: NTRK2

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

Discover Target: BRCA1

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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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Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Slightly soluble in water; Soluble in Alcohol,Acetone,Ether
• Sensibilità: Light sensitive.
• Punto di infiammabilità (°F): 255℃
• Punto di infiammabilità (°C): 255℃
• Punto di ebollizione (°C): 174°C
• Punto di fusione (°C): 57-60°C
• Peso molecolare: 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