TCN 213 - Moligand™, ≥98% , Allosteric modulator of GluN2A, CAS No.556803-08-8, Allosteric modulator of GluN2A

CAS: 556803-08-8 Cat. No.: T286921 Peso molecular: 376.54 PubChem CID: 2608149

GRADE & PURITY Moligand™, ≥98%

Synonyms

N-(Cyclohexylmethyl)-2-[(5-[(phenylmethyl)amino]-1,3,4-thiadiazol-2-yl}thio]acetamide | 2-((5-(benzylamino)-1,3,4-thiadiazol-2-yl)thio)-N-(cyclohexylmethyl)acetamide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

N-(Cyclohexylmethyl)-2-[(5-[(phenylmethyl)amino]-1, 3, 4-thiadiazol-2-yl}thio]acetamide | 2-((5-(benzylamino)-1, 3, 4-thiadiazol-2-yl)thio)-N-(cyclohexylmethyl)acetamide

Especificaciones y pureza

Moligand™, ≥98%

Mecanismos bioquímicos y fisiológicos

NMDA receptor antagonists are selective for receptor-containing GluN1/GluN2B (formally NR1/NR2B), and selective for GluN1/GluN2A (formally NR1/NR2A) (pIC50 = 5.4).

Condiciones de almacenamiento de almacenamiento

Store at -20°C

Enviado en

Ice chest + Ice pads

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

ALLOSTERIC MODULATOR

Mecanismo de acción

Allosteric modulator of GluN2A

Pureza

≥98%

Nombres e identificadores

• Pubchem Sid: 504760776
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760776
• Sonrisas canónicas: C1CCC(CC1)CNC(=O)CSC2=NN=C(S2)NCC3=CC=CC=C3
• IUPAC Name: 2-[[5-(benzylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(cyclohexylmethyl)acetamide
• InChIKey: XBAZPYFIYYCZBO-UHFFFAOYSA-N
• INCHI: 1S/C18H24N4OS2/c23-16(19-11-14-7-3-1-4-8-14)13-24-18-22-21-17(25-18)20-12-15-9-5-2-6-10-15/h2,5-6,9-10,14H,1,3-4,7-8,11-13H2,(H,19,23)(H,20,21)
• Isómeros SMILES: C1CCC(CC1)CNC(=O)CSC2=NN=C(S2)NCC3=CC=CC=C3
• PubChem CID: 2608149
• Términos de entrada MeSH: N-(cyclohexylmethyl)-2-((5-((phenylmethyl)amino)-1,3,4-thiadiazol-2-yl)thio)acetamide;TCN 213
• Peso molecular: 376.54

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organosulfur compounds
    • Clase Thioethers
      • Subclass Aryl thioethers

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Clase: Thioethers
• Subclass: Aryl thioethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Aryl thioethers
• Alternative Parents: Benzylamines Secondary alkylarylamines Alkylarylthioethers 2-amino-5-substituted-1,3,4-thiadiazoles Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl thioether - Benzylamine - 2-amino-5-substituted-1,3,4-thiadiazole - Secondary aliphatic/aromatic amine - Alkylarylthioether - 2-amino-1,3,4-thiadiazole - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Thiadiazole - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organoheterocyclic compound - Secondary amine - Sulfenyl compound - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aryl thioethers. These are organosulfur compounds containing a thioether group that is substituted by an aryl group.
• 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

Objetivos asociados (humanos)

GRIN2A Tclin Glutamate receptor ionotropic, NMDA 2A (0 Activities)

Discover Target: GRIN2A

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

Propiedades químicas y físicas

• Solubilidad: Solvent:DMSO, Max Conc. mg/mL: 28.24, Max Conc. mM: 75; Solvent:ethanol, Max Conc. mg/mL: 3.77, Max Conc. mM: 10
• Peso molecular: 376.500 g/mol
• XLogP3: 4.700
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 376.139 Da
• Monoisotopic Mass: 376.139 Da
• Topological Polar Surface Area: 120.000 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 401.000
• 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