PF 750 - Moligand™, ≥98%(HPLC) , Inhibitor of epoxide hydrolase 2;Inhibitor of Fatty acid amide hydrolase, CAS No.959151-50-9, Inhibitor of epoxide hydrolase 2;Inhibitor of Fatty acid amide hydrolase

CAS: 959151-50-9 Cat. No.: P288561 Molecular Weight: 345.44 EC Number: 664-036-4 PubChem CID: 25154868

GRADE & PURITY Moligand™, ≥98%(HPLC)

Synonyms

NCGC00370873-01 | Q27088336 | N-phenyl-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide | BDBM26740 | BRD-K83213911-001-01-0 | DTXSID00648906 | PF750 | PF-750 | N-Phenyl-4-(3-quinolinylmethyl)-1-piperidinecarboxamide | PF 750 | GTPL5244 | PF-750, >=98% (HP

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Product Describtion:

PF 750 is a selective and covalent fatty acid amide hydrolase inhibitor, It shows IC50s varied from 16.2-595 nM in different pre-incubation times.

Specifications

Synonyms

NCGC00370873-01 | Q27088336 | N-phenyl-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide | BDBM26740 | BRD-K83213911-001-01-0 | DTXSID00648906 | PF750 | PF-750 | N-Phenyl-4-(3-quinolinylmethyl)-1-piperidinecarboxamide | PF 750 | GTPL5244 | PF-750, >=98% (HP

Specifications & Purity

Moligand™, ≥98%(HPLC)

Biochemical and Physiological Mechanisms

Irreversible fatty acid amide hydrolase (FAAH) inhibitor (IC50= 16.2 nM) that displays no activity at a range of other serine hydrolases. Selectively inhibits FAAH within the central nervous system. Orally active.

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

This product requires cold chain shipping. Ground and other economy services are not available.

Grade

Moligand™

Action Type

INHIBITOR

Mechanism of action

Inhibitor of epoxide hydrolase 2;Inhibitor of Fatty acid amide hydrolase

Purity

≥98%(HPLC)

Names and Identifiers

• Canonical Smiles: C1CN(CCC1CC2=CC3=CC=CC=C3N=C2)C(=O)NC4=CC=CC=C4
• IUPAC Name: N-phenyl-4-(quinolin-3-ylmethyl)piperidine-1-carboxamide
• InChIKey: BIODYGOZWZNCAG-UHFFFAOYSA-N
• INCHI: 1S/C22H23N3O/c26-22(24-20-7-2-1-3-8-20)25-12-10-17(11-13-25)14-18-15-19-6-4-5-9-21(19)23-16-18/h1-9,15-17H,10-14H2,(H,24,26)
• Isomeric SMILES: C1CN(CCC1CC2=CC3=CC=CC=C3N=C2)C(=O)NC4=CC=CC=C4
• WGK Germany: 3
• PubChem CID: 25154868
• Molecular Weight: 345.44

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Quinolines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Quinolines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Quinolines and derivatives
• Alternative Parents: N-phenylureas Piperidinecarboxamides Pyridines and derivatives Heteroaromatic compounds Ureas Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: N-phenylurea - Quinoline - 1-piperidinecarboxamide - Piperidinecarboxamide - Monocyclic benzene moiety - Piperidine - Pyridine - Benzenoid - Heteroaromatic compound - Carbonic acid derivative - Urea - Azacycle - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as quinolines and derivatives. These are compounds containing a quinoline moiety, which consists of a benzene ring fused to a pyrimidine ring to form benzo[b]azabenzene.
• 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

Associated Targets(Human)

EPHX2 Tchem Bifunctional epoxide hydrolase 2 (2 Activities)

Discover Target: EPHX2

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

FAAH Tchem Fatty-acid amide hydrolase 1 (7 Activities)

Discover Target: FAAH

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

Associated Targets(non-human)

Hdac6 Histone deacetylase 6 (222 Activities)

Discover Target: Hdac6

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

Faah Anandamide amidohydrolase (3907 Activities)

Discover Target: Faah

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

rep Replicase polyprotein 1ab (378 Activities)

Discover Target: rep

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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 34.54, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 34.54, Max Conc. mM: 100
• Molecular Weight: 345.400 g/mol
• XLogP3: 4.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 345.184 Da
• Monoisotopic Mass: 345.184 Da
• Topological Polar Surface Area: 45.200 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 454.000
• 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