JNJ40355003 - Moligand™, ≥98% , Inhibitor of Fatty acid amide hydrolase, CAS No.1394894-41-7, Inhibitor of Fatty acid amide hydrolase

CAS: 1394894-41-7 Cat. No.: J611266 Formula: C₂₃H₂₃ClN₄O₂ Peso molecolare: 422.91 PubChem CID: 46863664

GRADE & PURITY Moligand™, ≥98%

Synonyms

Z0O8PGE4TB | compound 23 [PMID: 24900385] | JNJ40355003 | JNJ-40355003 | UNII-Z0O8PGE4TB | AKOS040748632 | SCHEMBL1758816 | GTPL9050 | BDBM50394620 | CHEMBL2164602

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Panoramica

JNJ-40355003 is a potent and selective atty acid amide hydrolase (FAAH) inhibitor.

Specifications

Sinonimi

Z0O8PGE4TB | compound 23 [PMID: 24900385] | JNJ40355003 | JNJ-40355003 | UNII-Z0O8PGE4TB | AKOS040748632 | SCHEMBL1758816 | GTPL9050 | BDBM50394620 | CHEMBL2164602

Specifiche e purezza

Moligand™, ≥98%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Protected from light

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Grado

Moligand™

Tipo di azione

INHIBITOR

Meccanismo d'azione

Inhibitor of Fatty acid amide hydrolase

Purezza

≥98%

Nomi e identificatori

Pubchem Sid

528765006

Sorrisi canonici

Clc1ccc(cc1)Oc1cccc(c1)CN1CCN(CC1)C(=O)Nc1cccnc1

IUPAC Name

4-[[3-(4-chlorophenoxy)phenyl]methyl]-N-pyridin-3-ylpiperazine-1-carboxamide

InChIKey

CTYVKSQPMCSUOR-UHFFFAOYSA-N

INCHI

1S/C23H23ClN4O2/c24-19-6-8-21(9-7-19)30-22-5-1-3-18(15-22)17-27-11-13-28(14-12-27)23(29)26-20-4-2-10-25-16-20/h1-10,15-16H,11-14,17H2,(H,26,29)

Isomeri SMILES

C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl)C(=O)NC4=CN=CC=C4

PubChem CID

46863664

Peso molecolare

422.91

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Diphenylethers
• Intermediate Tree Nodes: Not available
• Direct Parent: Diphenylethers
• Alternative Parents: Pyridinylpiperazines Diarylethers Piperazine carboxamides Benzylamines Phenol ethers Phenylmethylamines Phenoxy compounds Aralkylamines Chlorobenzenes N-alkylpiperazines Aryl chlorides Pyridines and derivatives Heteroaromatic compounds Trialkylamines Ureas Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Diphenylether - Pyridinylpiperazine - Diaryl ether - Piperazine-1-carboxamide - Benzylamine - Phenoxy compound - Phenol ether - Phenylmethylamine - Chlorobenzene - Halobenzene - Aralkylamine - N-alkylpiperazine - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Pyridine - Heteroaromatic compound - Tertiary aliphatic amine - Tertiary amine - Urea - Organoheterocyclic compound - Azacycle - Ether - Organooxygen compound - Hydrocarbon derivative - Organohalogen compound - Amine - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organochloride - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether 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

Obiettivi associati (umani)

FAAH Tchem Fatty-acid amide hydrolase 1 (5 Activities)

Discover Target: FAAH

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

Obiettivi associati (non umani)

Faah Anandamide amidohydrolase (3907 Activities)

Discover Target: Faah

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Salmonella typhimurium (15756 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Canis familiaris (36305 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rattus norvegicus (775804 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Cynomolgus monkey (4946 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Brain (1 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Plasma (328 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Meccanismi d'azione

Proprietà chimiche e fisiche

• Sensibilità: Light sensitive
• Peso molecolare: 422.900 g/mol
• XLogP3: 3.500
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 422.151 Da
• Monoisotopic Mass: 422.151 Da
• Topological Polar Surface Area: 57.700 Ų
• Heavy Atom Count: 30
• Formal Charge: 0
• Complexity: 535.000
• 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