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 분자식: C₁₇H₂₃ClN₂O₃ 분자량: 338.83 PubChem CID: 44589122

등급 & 순도 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

사양

동의어

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

사양 및 순도

Moligand™, ≥98%

생화학 및 생리적 메커니즘

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

보관 조건

Store at -20°C

배송

Ice chest + Ice pads

이 제품은 콜드 체인 배송이 필요합니다.지상 및 기타 경제 서비스는 사용할 수 없습니다.

등급

Moligand™

작업 유형

INHIBITOR

작동 메커니즘

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

순수함

≥98%

이름과 식별자

정식 스마일

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)

이성체 SMILES

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

PubChem CID

44589122

분자량

338.83

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: 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
• 설명: 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

관련 대상(인간)

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)

작용 메커니즘

화학 및 물리적 특성

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