Edasalonexent - ≥98% , Nuclear factor NF-kappa-B complex inhibitor, CAS No.1204317-86-1, Nuclear factor NF-kappa-B complex inhibitor

CAS: 1204317-86-1 Cat. No.: E646583 Formule: C₃₁H₄₂N₂O₃ Poids moléculaire: 490.68 PubChem CID: 44626120

GRADE & PURITY ≥98%

Synonyms

Benzamide, 2-hydroxy-N-(2-(((4Z,7Z,10Z,13Z,16Z,19Z)-1-oxo-4,7,10,13,16,19-docosahexaen-1-yl)amino)ethyl)- | CAT 1004 | N-(2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16, 19-hexaenamidoethyl)-2-hydroxybenzamide | Edasalonexent | N-(2-(4Z,7Z,10Z,13Z,16Z,19Z)

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Vue d’ensemble

Edasalonexent (CAT-1004) is an orally bioavailable NF-κB inhibitor.

In Vitro

Edasalonexent is an orally administered small molecule in which salicylic acid and docosahexaenoic acid (DHA) are covalently conjugated through an ethylenediamine linker and that is designed to synergistically leverage the ability of both of these compounds to inhibit NF-κB. Edasalonexent significantly inhibits NF-κB p65-dependent inflammatory responses as well as downstream proinflammatory genes modulated by p65 in the golden retriever duchenne muscular dystrophy (DMD) model. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

The treatment of mdx mice with Edasalonexent for 20 weeks results in reduced susceptibility of the extensor digitorum longus muscle to eccentric contraction-induced injury . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Oil

IC50& Target:NF-κB

Specifications

Synonymes

Benzamide, 2-hydroxy-N-(2-(((4Z,7Z,10Z,13Z,16Z,19Z)-1-oxo-4,7,10,13,16,19-docosahexaen-1-yl)amino)ethyl)- | CAT 1004 | N-(2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16, 19-hexaenamidoethyl)-2-hydroxybenzamide | Edasalonexent | N-(2-(4Z,7Z,10Z,13Z,16Z,19Z)

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

Edasalonexent (CAT-1004) is an orally bioavailable NF-κB inhibitor.

Conditions de stockage de stockage

Protected from light,Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Type d'action

INHIBITOR

Mécanisme d'action

Nuclear factor NF-kappa-B complex inhibitor

Pureté

≥98%

Propriétés du produit

ALogP

7.1

Noms et identifiants

Sourires canoniques

CCC=CCC=CCC=CCC=CCC=CCC=CCCC(=O)NCCNC(=O)C1=CC=CC=C1O

IUPAC Name

N-[2-[[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyl]amino]ethyl]-2-hydroxybenzamide

InChIKey

JQLBBYLGWHUHRW-KUBAVDMBSA-N

INCHI

1S/C31H42N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-30(35)32-26-27-33-31(36)28-23-21-22-24-29(28)34/h3-4,6-7,9-10,12-13,15-16,18-19,21-24,34H,2,5,8,11,14,17,20,25-27H2,1H3,(H,32,35)(H,33,36)/b4-3-,7-6-,10-9-,13-12-,16-15-,19-18-

Isomères SMILES

CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)NCCNC(=O)C1=CC=CC=C1O

CAS alternatif

1204317-86-1

PubChem CID

44626120

Termes d'entrée MeSH

CAT-1004;edasalonexent

Poids moléculaire

490.68

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Hydroxybenzoic acid derivatives
          • Level6 Salicylic acid and derivatives
            • Level7 Salicylamides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Hydroxybenzoic acid derivatives - Salicylic acid and derivatives
• Direct Parent: Salicylamides
• Alternative Parents: Benzamides Benzoyl derivatives 1-hydroxy-4-unsubstituted benzenoids 1-hydroxy-2-unsubstituted benzenoids N-acyl amines Vinylogous acids Secondary carboxylic acid amides Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Salicylamide - Benzamide - Benzoyl - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Fatty amide - Fatty acyl - N-acyl-amine - Vinylogous acid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as salicylamides. These are carboxamide derivatives of salicylic acid. Salicylic acid is the ortho-hydroxylated derivative of benzoic acid.
• 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

Cibles associées (humaines)

Liver (3974 Activities)

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Cibles associées (non humaines)

Faah Anandamide amidohydrolase (3907 Activities)

Discover Target: Faah

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Rattus norvegicus (775804 Activities)

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Brain (1 Activities)

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Plasma (328 Activities)

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Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: DMSO : 120 mg/mL (244.56 mM; Need ultrasonic)
• Poids moléculaire: 490.700 g/mol
• XLogP3: 7.100
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 18
• Exact Mass: 490.32 Da
• Monoisotopic Mass: 490.32 Da
• Topological Polar Surface Area: 78.400 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 762.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 6
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 6
• Covalently-Bonded Unit Count: 1