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

CAS: 556803-08-8 Cat. No.: T286921 Formula: C₁₈H₂₄N₄OS₂ Peso molecolare: 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

Sinonimi

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

Specifiche e purezza

Moligand™, ≥98%

Meccanismi biochimici e fisiologici

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

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

ALLOSTERIC MODULATOR

Meccanismo d'azione

Allosteric modulator of GluN2A

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

504760776

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760776

Sorrisi canonici

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)

Isomeri SMILES

C1CCC(CC1)CNC(=O)CSC2=NN=C(S2)NCC3=CC=CC=C3

PubChem CID

2608149

Termini MeSH

N-(cyclohexylmethyl)-2-((5-((phenylmethyl)amino)-1,3,4-thiadiazol-2-yl)thio)acetamide;TCN 213

Peso molecolare

376.54

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organosulfur compounds
• Classe: 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
• Descrizione: 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

Obiettivi associati (umani)

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)

Proprietà chimiche e fisiche

• Solubilità: 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 molecolare: 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

What is Moligand??

Moligand? is one of Aladdin Scientific's premium product lines, formulated for high-purity applications across multiple workflows. Compared to standard grades in the same workflow, Moligand? products typically offer tighter specifications, more rigorous QC, and stronger lot-to-lot consistency.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 556803-08-8, the molecular formula is C18H24N4OS2, and the molecular weight is 376.54 g/mol. InChIKey XBAZPYFIYYCZBO-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.