GNE-0439 - ≥99% , CAS No.1241902-40-8

CAS: 1241902-40-8 Cat. No.: G651044 Molecular Weight: 345.48 PubChem CID: 92138726

GRADE & PURITY ≥99%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

GNE-0439 is a novel Nav1.7 -selective inhibitor with IC 50 of 0.34 uM and inhibits Nav1.5 with an IC 50 of 38.3 μM. GNE-0439 inhibits mutant N1742K channels ( IC 50 =0.37 uM) in membrane potential assays. GNE-0439 possesses a carboxylic acid group, binds outside of the channel pore, and is unique compared with known selective VSD4 binders

Form:Solid

IC50& Target:IC50: 0.34 uM (Nav1.7)

Specifications

Specifications & Purity

≥99%

Biochemical and Physiological Mechanisms

GNE-0439 is a novel Nav1.7 -selective inhibitor with IC 50 of 0.34 uM and inhibits Nav1.5 with an IC 50 of 38.3 μM. GNE-0439 inhibits mutant N1742K channels ( IC 50 =0.37 uM) in membrane potential assays. GNE-0439 possesses a carboxylic acid group, binds

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.

Action Type

INHIBITOR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: CCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)NC(C(C)C)C(=O)O
• IUPAC Name: (2S)-3-methyl-2-[[4-(4-propylcyclohexyl)benzoyl]amino]butanoic acid
• InChIKey: SKMKUWKJBZSEJH-RJYAGPCLSA-N
• INCHI: 1S/C21H31NO3/c1-4-5-15-6-8-16(9-7-15)17-10-12-18(13-11-17)20(23)22-19(14(2)3)21(24)25/h10-16,19H,4-9H2,1-3H3,(H,22,23)(H,24,25)/t15?,16?,19-/m0/s1
• Isomeric SMILES: CCCC1CCC(CC1)C2=CC=C(C=C2)C(=O)N[C@@H](C(C)C)C(=O)O
• PubChem CID: 92138726
• Molecular Weight: 345.48

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives
        • Level5 Benzamides
          • Level6 Hippuric acids and derivatives
            • Level7 Hippuric acids

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Benzamides - Hippuric acids and derivatives
• Direct Parent: Hippuric acids
• Alternative Parents: Valine and derivatives N-acyl-alpha amino acids Benzoyl derivatives Secondary carboxylic acid amides Monocarboxylic acids and derivatives Carboxylic acids Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Hippuric acid - Valine or derivatives - N-acyl-alpha-amino acid - N-acyl-alpha amino acid or derivatives - Alpha-amino acid or derivatives - Benzoyl - Carboxamide group - Secondary carboxylic acid amide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aromatic homomonocyclic compound
• Description: This compound belongs to the class of organic compounds known as hippuric acids. These are compounds containing hippuric acid, which consists of a of a benzoyl group linked to the N-terminal of a glycine.
• 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

Chemical and Physical Properties

• Solubility: DMSO : 130 mg/mL (376.29 mM; Need ultrasonic)