Stearda - ≥92% , CAS No.105955-10-0

CAS: 105955-10-0 Cat. No.: S334621 Molecular Weight: 419.64 PubChem CID: 10025103

GRADE & PURITY ≥92%

Synonyms

CHEBI:186909 | NCGC00092336-01 | n-stearoyl dopamine | DTXSID50434391 | SCHEMBL883453 | Z221503626 | SKN6T3V4BB | n-stearoyldopamine | n-stearoyl-dopamine | PD070686 | J-001506 | N-(3,4-dihydroxyphenethyl)stearamide | N-(2-(3,4-Dihydroxyphenyl)ethyl)-octa

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

STEARDA inhibits arachidonate 5-LO (5-lipoxygenase) with an IC|50|of 16 nM. Adiditionally, is an ndogenous fatty acid dopamide that displays 'entourage' effects on endovanilloids NADA and anandamide. STEARDA is inactive at TRPV1 and CB1 receptors (at concentrations up to 5 μM) and does not inhibit AMT or FAAH (IC50 > 25 μM). However, STEARDA potentiates TRPV1-mediated effects of NADA in vitro and in vivo; enhances effects on intracellular Ca2+ (EC50 lowered 3-fold) and nociception. Also, STEARDA inhibits arachidonate 5-lipoxygenase (IC50 = 16 nM).

application：

STEARDA is a novel, endogenous capsaicin-like lipid that produces hyperalgesia.

Specifications

Synonyms

CHEBI:186909 | NCGC00092336-01 | n-stearoyl dopamine | DTXSID50434391 | SCHEMBL883453 | Z221503626 | SKN6T3V4BB | n-stearoyldopamine | n-stearoyl-dopamine | PD070686 | J-001506 | N-(3, 4-dihydroxyphenethyl)stearamide | N-(2-(3, 4-Dihydroxyphenyl)ethyl)-octa

Specifications & Purity

≥92%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥92%

Names and Identifiers

• Pubchem Sid: 504765199
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765199
• Canonical Smiles: CCCCCCCCCCCCCCCCCC(=O)NCCC1=CC(=C(C=C1)O)O
• IUPAC Name: N-[2-(3,4-dihydroxyphenyl)ethyl]octadecanamide
• InChIKey: KOCSVLPLQCBIGW-UHFFFAOYSA-N
• INCHI: 1S/C26H45NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(30)27-21-20-23-18-19-24(28)25(29)22-23/h18-19,22,28-29H,2-17,20-21H2,1H3,(H,27,30)
• Isomeric SMILES: CCCCCCCCCCCCCCCCCC(=O)NCCC1=CC(=C(C=C1)O)O
• PubChem CID: 10025103
• Molecular Weight: 419.64

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: 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 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 - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Description: 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

Associated Targets(non-human)

lef Anthrax lethal factor (7585 Activities)

Discover Target: lef

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

Mapt Microtubule-associated protein tau (6 Activities)

Discover Target: Mapt

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble to 5 mM in Ethanol
• Molecular Weight: 419.600 g/mol
• XLogP3: 7.700
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 19
• Exact Mass: 419.34 Da
• Monoisotopic Mass: 419.34 Da
• Topological Polar Surface Area: 69.600 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 402.000
• 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