SA 57 - Moligand™, ≥98% , Inhibitor of αβ-Hydrolase 6;Inhibitor of Fatty acid amide hydrolase;Inhibitor of Monoacylglycerol lipase, CAS No.1346169-63-8, Inhibitor of αβ-Hydrolase 6;Inhibitor of Fatty acid amide hydrolase;Inhibitor of Monoacylglycerol lipase

CAS: 1346169-63-8 Cat. No.: S287063 Fórmula: C₁₇H₂₃ClN₂O₃ Peso molecular: 338.83 PubChem CID: 44589122

GRAU & PUREZA Moligand™, ≥98%

Synonyms

4-[2-(4-Chlorophenyl)ethyl]-1-piperidinecarboxylic acid 2-(methylamino)-2-oxoethyl ester | (Z)-2-((4-(4-chlorophenethyl)piperidine-1-carbonyl)oxy)-N-methylacetimidic acid

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Especificações

Sinónimos

4-[2-(4-Chlorophenyl)ethyl]-1-piperidinecarboxylic acid 2-(methylamino)-2-oxoethyl ester | (Z)-2-((4-(4-chlorophenethyl)piperidine-1-carbonyl)oxy)-N-methylacetimidic acid

Especificações e pureza

Moligand™, ≥98%

Mecanismos bioquímicos e fisiológicos

Potent inhibitor of fatty acid amide hydrolase (FAAH) (IC50<10 nM). Also inhibits MAGL at higher concentrations (IC50values are 410 nM and 1.4μM respectively). Inhibits both human and mouse FAAH enzymes. Exhibits inhibitory activity against FAAH, MAGL and

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.

Grau

Moligand™

Tipo de ação

INHIBITOR

Mecanismo de ação

Inhibitor of αβ-Hydrolase 6;Inhibitor of Fatty acid amide hydrolase;Inhibitor of Monoacylglycerol lipase

Pureza

≥98%

Nomes e identificadores

Sorrisos canónicos

CNC(=O)COC(=O)N1CCC(CC1)CCC2=CC=C(C=C2)Cl

IUPAC Name

[2-(methylamino)-2-oxoethyl] 4-[2-(4-chlorophenyl)ethyl]piperidine-1-carboxylate

InChIKey

JFSSVCSHPDLFCM-UHFFFAOYSA-N

INCHI

1S/C17H23ClN2O3/c1-19-16(21)12-23-17(22)20-10-8-14(9-11-20)3-2-13-4-6-15(18)7-5-13/h4-7,14H,2-3,8-12H2,1H3,(H,19,21)

SMILES isoméricas

CNC(=O)COC(=O)N1CCC(CC1)CCC2=CC=C(C=C2)Cl

PubChem CID

44589122

Peso molecular

338.83

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Piperidines
      • Subclass Piperidinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Piperidines
• Subclass: Piperidinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinecarboxylic acids
• Alternative Parents: Chlorobenzenes Aryl chlorides Carbamate esters Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Piperidinecarboxylic acid - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Carboxamide group - Secondary carboxylic acid amide - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organochloride - Organohalogen compound - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as piperidinecarboxylic acids. These are compounds containing a piperidine ring which bears a carboxylic acid 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

Alvos associados (humanos)

FAAH Tchem Fatty-acid amide hydrolase 1 (1 Activities)

Discover Target: FAAH

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

MGLL Tchem Monoglyceride lipase (0 Activities)

Discover Target: MGLL

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

ABHD6 Tchem Monoacylglycerol lipase ABHD6 (0 Activities)

Discover Target: ABHD6

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 8.47, Max Conc. mM: 25; Solvent:ethanol, Max Conc. mg/mL: 6.78, Max Conc. mM: 20
• Peso molecular: 338.800 g/mol
• XLogP3: 3.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 338.14 Da
• Monoisotopic Mass: 338.14 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 23
• Formal Charge: 0
• Complexity: 389.000
• 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