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(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
Basic Description
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,
Action Type
ANTAGONIST
Mechanism of action
Glutamate receptor ionotropic kainate antagonist
Taxonomic Classification
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.
Names and Identifiers
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
INCHI
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
InChIKey
LNDYQNTTYXLTNH-RTBBDAMFSA-N
Smiles
C1CC2CNC(CC2CC1CCC3=NNN=N3)C(=O)O.O
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
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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