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 Summenformel: C₁₇H₂₃ClN₂O₃ Molekulargewicht: 338.83 PubChem CID: 44589122

GRADE & PURITY 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

Specifications

Synonyme

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

Spezifikationen & Reinheit

Moligand™, ≥98%

Biochemische und physiologische Mechanismen

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

Storage

Store at -20°C

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Note

Moligand™

Aktionsart

INHIBITOR

Mechanismus der Wirkung

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

Reinheit

≥98%

Namen und Kennungen

• Kanonisches Lächeln: 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)
• Isomere SMILES: CNC(=O)COC(=O)N1CCC(CC1)CCC2=CC=C(C=C2)Cl
• PubChem CID: 44589122
• Molekulargewicht: 338.83

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (menschlich)

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)

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:DMSO, Max Conc. mg/mL: 8.47, Max Conc. mM: 25; Solvent:ethanol, Max Conc. mg/mL: 6.78, Max Conc. mM: 20
• Molekulargewicht: 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