Tryptophol - 10mM in DMSO , CAS No.526-55-6

CAS: 526-55-6 Cat. No.: T424520 分子式: C₁₀H₁₁NO 分子量: 161.2 Beilstein Registry Number: 125553 EC番号: 208-393-2 PubChem CID: 10685

GRADE & PURITY 10mM in DMSO

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

Store at -80°C

Shipped In

Dry ice packs + Cold packs

概要

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.

Specifications

同義語

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

仕様と純度

10mM in DMSO

保管条件

Store at -80°C

入荷

Dry ice packs + Cold packs

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

名前と識別子

• パブケム・シド: 528775082
• カノニカル・スマイル: 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
• 異性体SMILES: C1=CC=C2C(=C1)C(=CN2)CCO
• WGKドイツ: 3
• RTECS: KL3685000
• PubChem CID: 10685
• 分子量: 161.2
• Beilstein: 125553
• Reaxy-Rn: 125553

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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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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

関連ターゲット（非人間）

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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作用メカニズム

化学的性質と物理的性質

• 感度: Light sensitive.
• 引火点（°F）: 255℃
• 引火点（°C）: 255℃
• 沸点（°C）: 174°C
• 融点（°C）: 57-60°C
• 分子量: 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

参考文献

1. Zhang Junzhi, Lin Binyan, Zhang Ying, Hu Xiaochao, Liu Tongtong, Liu E-Hu, Liu Shijia.  (2024)  Baitouweng decoction alleviates ulcerative colitis by regulating tryptophan metabolism through DOPA decarboxylase promotion.  Frontiers in Pharmacology,      [PMID:38974042] [10.3389/fphar.2024.1423307]

2. Mengshi Xiao, Jiayuan Bi, Xinmiao Ren, Xiaodan Fu, Dongyu Li, Rong Li, Haijin Mou.  (2024)  Evaluation of potential prebiotic activity of a novel fucose-containing trisaccharide prepared from bacterial exopolysaccharides.  Food Bioscience,      [PMID:] [10.1016/j.fbio.2024.104380]