(3S,4aR,6R,8aR)-6-(2-(1H-Tetrazol-5-yl)ethyl)decahydroisoquinoline-3-carboxylic acid monohydrate , Glutamate receptor ionotropic kainate antagonist, CAS No.317819-68-4, Glutamate receptor ionotropic kainate antagonist

CAS: 317819-68-4 Cat. No.: S671167 Molecular Weight: 297.35 PubChem CID: 23725095

Synonyms

Tezampanel hydrate | Tezampanel (USAN) | NGX424 | AKOS040754177 | (3S,4aR,6R,8aR)-6-[2-(1H-Tetrazol-5-yl)ethyl]decahydroisoquinoline-3-carboxylic acid monohydrate | 3-Isoquinolinecarboxylic acid, decahydro-6-(2-(1H-tetrazol-5-yl)ethyl)-, monohydrate, (3S,

Storage

Room temperature

Specifications

Synonyms

Tezampanel hydrate | Tezampanel (USAN) | NGX424 | AKOS040754177 | (3S, 4aR, 6R, 8aR)-6-[2-(1H-Tetrazol-5-yl)ethyl]decahydroisoquinoline-3-carboxylic acid monohydrate | 3-Isoquinolinecarboxylic acid, decahydro-6-(2-(1H-tetrazol-5-yl)ethyl)-, monohydrate, (3S,

Storage

Room temperature

Action Type

ANTAGONIST

Mechanism of action

Glutamate receptor ionotropic kainate antagonist

Names and Identifiers

• Canonical Smiles: C1CC2CNC(CC2CC1CCC3=NNN=N3)C(=O)O.O
• IUPAC Name: (3S,4aR,6R,8aR)-6-[2-(2H-tetrazol-5-yl)ethyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-3-carboxylic acid;hydrate
• InChIKey: LNDYQNTTYXLTNH-RTBBDAMFSA-N
• INCHI: 1S/C13H21N5O2.H2O/c19-13(20)11-6-10-5-8(1-3-9(10)7-14-11)2-4-12-15-17-18-16-12;/h8-11,14H,1-7H2,(H,19,20)(H,15,16,17,18);1H2/t8-,9+,10-,11+;/m1./s1
• Isomeric SMILES: C1C[C@H]2CN[C@@H](C[C@H]2C[C@H]1CCC3=NNN=N3)C(=O)O.O
• PubChem CID: 23725095
• Molecular Weight: 297.35

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Alpha amino acids and derivatives
            • Level7 Alpha amino acids
              • Level8 L-alpha-amino acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Alpha amino acids and derivatives - Alpha amino acids
• Direct Parent: L-alpha-amino acids
• Alternative Parents: Piperidinecarboxylic acids Aralkylamines Tetrazoles Heteroaromatic compounds Amino acids Monocarboxylic acids and derivatives Dialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: L-alpha-amino acid - Piperidinecarboxylic acid - Aralkylamine - Piperidine - Azole - Tetrazole - Heteroaromatic compound - Amino acid - Carboxylic acid - Secondary aliphatic amine - Monocarboxylic acid or derivatives - Secondary amine - Organoheterocyclic compound - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as l-alpha-amino acids. These are alpha amino acids which have the L-configuration of the alpha-carbon atom.
• 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