PSEM 89S TFA - ≥98%(HPLC) , CAS No.1336913-03-1

CAS: 1336913-03-1 Cat. No.: P288606 Fórmula: C₁₆H₂₂N₂O₃.CF₃CO₂H Peso molecular: 404.38 PubChem CID: 134812840

GRADE & PURITY ≥98%(HPLC)

Synonyms

N-(3S)-1-Azabicyclo[2.2.2]oct-3-yl-2,5-dimethoxybenzamide trifluoroacetate

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

PSEM 89S TFA is a selective and brain-penetrant agonist of ion channels. PSEM 89S TFA is orthogonally selective for Q79G and L141F, respectively.

Specifications

Sinónimos

N-(3S)-1-Azabicyclo[2.2.2]oct-3-yl-2,5-dimethoxybenzamide trifluoroacetate

Especificações e pureza

≥98%(HPLC)

Mecanismos bioquímicos e fisiológicos

PSAML141F-GlyR and PSAML141F,Y115F-5-HT3chimeric ion channel agonist (EC50values are 3.4 and 2.2 μM, respectively). Activates cortical neurons expressing PSAML141F,Y115F-5-HT3chimeric ion channels and inhibits activity of neurons expressing PSAML141F-GlyR

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Tipo de ação

AGONIST

Pureza

≥98%(HPLC)

Nomes e identificadores

• Pubchem Sid: 504773181
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504773181
• Sorrisos canónicos: COC1=CC(=C(C=C1)OC)C(=O)NC2CN3CCC2CC3.C(=O)(C(F)(F)F)O
• IUPAC Name: N-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-2,5-dimethoxybenzamide;2,2,2-trifluoroacetic acid
• InChIKey: GLKCNNXBIUCCJJ-PFEQFJNWSA-N
• INCHI: 1S/C16H22N2O3.C2HF3O2/c1-20-12-3-4-15(21-2)13(9-12)16(19)17-14-10-18-7-5-11(14)6-8-18;3-2(4,5)1(6)7/h3-4,9,11,14H,5-8,10H2,1-2H3,(H,17,19);(H,6,7)/t14-;/m1./s1
• PubChem CID: 134812840
• Peso molecular: 404.38

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Benzamides Quinuclidines Phenoxy compounds Benzoyl derivatives Anisoles Alkyl aryl ethers Piperidines Alpha-halocarboxylic acids Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organopnictogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Not available
• Substituents: P-dimethoxybenzene - Dimethoxybenzene - Benzoic acid or derivatives - Benzamide - Phenoxy compound - Quinuclidine - Phenol ether - Benzoyl - Anisole - Alkyl aryl ether - Piperidine - Alpha-halocarboxylic acid or derivatives - Alpha-halocarboxylic acid - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Monocarboxylic acid or derivatives - Ether - Carboxylic acid - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Carbonyl group - Amine - Alkyl halide - Alkyl fluoride - Aromatic heteropolycyclic compound
• Descrição: This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
• 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

Propriedades químicas e físicas

• Solubilidade: Solvent:water, Max Conc. mg/mL: 40.44, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 40.44, Max Conc. mM: 100
• Peso molecular: 404.400 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 9
• Rotatable Bond Count: 4
• Exact Mass: 404.156 Da
• Monoisotopic Mass: 404.156 Da
• Topological Polar Surface Area: 88.100 Ų
• Heavy Atom Count: 28
• Formal Charge: 0
• Complexity: 452.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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: 2

XLogP3

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

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 1336913-03-1, the molecular formula is C??H??N?O?.CF?CO?H, and the molecular weight is 404.38 g/mol. InChIKey GLKCNNXBIUCCJJ-PFEQFJNWSA-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.