THPN - ≥98%(HPLC) , CAS No.100079-26-3

CAS: 100079-26-3 Cat. No.: T288521 分子式: C₁₅H₂₂O₄ 分子量: 266.33 EC番号: 110-398-9 PubChem CID: 3063200

GRADE & PURITY ≥98%(HPLC)

Synonyms

THPN, >=98% (HPLC) | 4jgv | HY-113827 | T94 | 1-(3,4,5-trihydroxyphenyl)-1-nonanone | 1-(3,4,5)-Trihydroxyphenyl)nonan-1-one | SCHEMBL23043728 | THPN | 1-(3,4,5-trihydroxyphenyl)nonan-1-one | DTXSID30142922 | AKOS034834094 | Q27465851 | 1,2,3-Benzenetriol

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

概要

THPN or 1-(3,4,5-Trihydroxyphenyl)nonan-1-one, is a derivative of cytosporone B.

Specifications

同義語

THPN, >=98% (HPLC) | 4jgv | HY-113827 | T94 | 1-(3,4,5-trihydroxyphenyl)-1-nonanone | 1-(3,4,5)-Trihydroxyphenyl)nonan-1-one | SCHEMBL23043728 | THPN | 1-(3,4,5-trihydroxyphenyl)nonan-1-one | DTXSID30142922 | AKOS034834094 | Q27465851 | 1,2,3-Benzenetriol

仕様と純度

≥98%(HPLC)

生化学的・生理学的メカニズム

Nur77 agonist. Binds Nur77 and promotes translocation of the receptor to the mitochondria resulting in autophagy in melanoma cell lines.

保管条件

Store at -20°C

入荷

Ice chest + Ice pads

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。

純度

≥98%(HPLC)

名前と識別子

パブケム・シド

504762386

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/504762386

カノニカル・スマイル

CCCCCCCCC(=O)C1=CC(=C(C(=C1)O)O)O

IUPAC Name

1-(3,4,5-trihydroxyphenyl)nonan-1-one

InChIKey

NVFRHTFJDGAFQS-UHFFFAOYSA-N

INCHI

1S/C15H22O4/c1-2-3-4-5-6-7-8-12(16)11-9-13(17)15(19)14(18)10-11/h9-10,17-19H,2-8H2,1H3

異性体SMILES

CCCCCCCCC(=O)C1=CC(=C(C(=C1)O)O)O

PubChem CID

3063200

分子量

266.33

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • 分類 Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• 分類: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Butyrophenones Pyrogallols and derivatives Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids Polyols Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Butyrophenone - Pyrogallol derivative - Benzenetriol - Aryl alkyl ketone - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Polyol - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• 説明: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• External Descriptors: Not available

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）

CCRF-CEM (65223 Activities)

Explore this target

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）

L1210 (27553 Activities)

Explore this target

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: Solvent:DMSO, Max Conc. mg/mL: 26.63, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 26.63, Max Conc. mM: 100
• 感度: air sensitive
• 分子量: 266.330 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 266.152 Da
• Monoisotopic Mass: 266.152 Da
• Topological Polar Surface Area: 77.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 255.000
• 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