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

GRADE & PURITY Moligand™, ≥98%

Synonyms

éster 2-(metilamino)-2-oxoetílico do ácido 4-[2-(4-clorofenil)etil]-1-piperidinocarboxílico | Ácido (Z)-2-((4-(4-clorofenil)piperidina-1-carbonil)oxi)-N-metilacetimídico

Storage

Armazenar a -20°C

Shipped In

Arca de gelo + almofadas de gelo

Specifications

Sinónimos

éster 2-(metilamino)-2-oxoetílico do ácido 4-[2-(4-clorofenil)etil]-1-piperidinocarboxílico | Ácido (Z)-2-((4-(4-clorofenil)piperidina-1-carbonil)oxi)-N-metilacetimídico

Especificações e pureza

Moligand™, ≥98%

Mecanismos bioquímicos e fisiológicos

Inibidor potente da amida hidrolase de ácidos gordos (FAAH) (IC50<10 nM). Também inibe a MAGL em concentrações mais elevadas (os valores IC50 são 410 nM e 1,4μM, respetivamente). Inibe as enzimas FAAH humana e do rato. Apresenta atividade inibitória contr

Condições de armazenamento de armazenamento

Armazenar a -20°C

Enviado em

Arca de gelo + almofadas de gelo

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