PALDA , CAS No.136181-87-8

CAS: 136181-87-8 Cat. No.: P340925 Peso molecular: 391.6 PubChem CID: 16759163

Synonyms

Hexadecanamide,N-[2-(3,4-dihydroxyphenyl)ethyl]- | NCGC00092335-04 | J-006818 | Palmitoyl dopamine | Hexadecanamide, N-[2-(3,4-dihydroxyphenyl)ethyl]- | HMS3650I11 | PALDA | SCHEMBL875454 | CHEBI:134058 | HMS3268B22 | Q27164120 | SR-01000946793 | N-hexade

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

PALDA is an endogenous fatty acid dopamide that displays 'entourage' effects on endovanilloids NADA and anandamide. PALDA is inactive at TRPV1 and CB1 receptors (at concentrations up to 5 μM) and does not inhibit AMT or FAAH (IC|50|> 25 μM). PALDA additionally potentiates TRPV1-mediated effects of NADA and lowers EC|50|from ~ 90 to ~ 30 nM.

Specifications

Sinónimos

Hexadecanamide, N-[2-(3, 4-dihydroxyphenyl)ethyl]- | NCGC00092335-04 | J-006818 | Palmitoyl dopamine | Hexadecanamide, N-[2-(3, 4-dihydroxyphenyl)ethyl]- | HMS3650I11 | PALDA | SCHEMBL875454 | CHEBI:134058 | HMS3268B22 | Q27164120 | SR-01000946793 | N-hexade

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.

Tipo de acción

ACTIVATOR

Propiedades del producto

• pKa: pKₐ: 9.79 (Predicted)

Nombres e identificadores

• Sonrisas canónicas: CCCCCCCCCCCCCCCC(=O)NCCC1=CC(=C(C=C1)O)O
• IUPAC Name: N-[2-(3,4-dihydroxyphenyl)ethyl]hexadecanamide
• InChIKey: TWJJFOWLTIEYFO-UHFFFAOYSA-N
• INCHI: 1S/C24H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(28)25-19-18-21-16-17-22(26)23(27)20-21/h16-17,20,26-27H,2-15,18-19H2,1H3,(H,25,28)
• Isómeros SMILES: CCCCCCCCCCCCCCCC(=O)NCCC1=CC(=C(C=C1)O)O
• PubChem CID: 16759163
• Peso molecular: 391.6

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Phenols
      • Subclass Benzenediols
        • Level5 Catechols
          • Level6 Catecholamines and derivatives
            • Level7 N-acyldopamines

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Phenols
• Subclass: Benzenediols
• Intermediate Tree Nodes: Catechols - Catecholamines and derivatives
• Direct Parent: N-acyldopamines
• Alternative Parents: 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids N-acyl amines Benzene and substituted derivatives Secondary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: N-acyldopamine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Monocyclic benzene moiety - Fatty amide - N-acyl-amine - Fatty acyl - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as n-acyldopamines. These are aromatic heterocyclic compounds containing a dopamine, in which the amine group is acylated.
• 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

Objetivos asociados (humanos)

HaCaT (4069 Activities)

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HSD17B10 Tchem Endoplasmic reticulum-associated amyloid beta-peptide-binding protein (20669 Activities)

Discover Target: HSD17B10

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Objetivos asociados (no humanos)

RAW264.7 (28094 Activities)

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RBL-2H3 (1162 Activities)

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Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in DMSO (~20 mg/ml), DMF (~20 mg/ml), and ethanol (5 mM).
• Índice de refracción: n20D1.52 (Predicted)
• Punto de ebullición (°C): 589.55° C at 760 mmHg (Predicted)
• Peso molecular: 391.600 g/mol
• XLogP3: 6.600
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 17
• Exact Mass: 391.309 Da
• Monoisotopic Mass: 391.309 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 375.000
• 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