PF-3845 - Moligand™, ≥98% , Inhibitor of Fatty acid amide hydrolase, CAS No.1196109-52-0, Inhibitor of Fatty acid amide hydrolase

CAS: 1196109-52-0 Cat. No.: P127292 Fórmula: C₂₄H₂₃F₃N₄O₂ Número CE: 802-455-8

GRAU & PUREZA Moligand™, ≥98%

Synonyms

1-Piperidinecarboxamide, N-3-pyridinyl-4-((3-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenyl)methyl)- | FT-0673647 | BRD-K68997413-001-01-0 | PF-3845, 10 | SMR004702971 | AC-32900 | EINECS 200-311-3 | N',N'-dimethylhydrazine | NCGC00263131-01 | PF 3845 hydra

Storage

Store at 2-8°C

Shipped In

Wet ice

Visão geral

PF-3845 is a potent, selective and irreversible FAAH inhibitor with Ki of 230 nM, showing negligible activity against FAAH2
A selective fatty acid amide hydrolase (FAAH) inhibitor.

Especificações

Sinónimos

1-Piperidinecarboxamide, N-3-pyridinyl-4-((3-((5-(trifluoromethyl)-2-pyridinyl)oxy)phenyl)methyl)- | FT-0673647 | BRD-K68997413-001-01-0 | PF-3845, 10 | SMR004702971 | AC-32900 | EINECS 200-311-3 | N',N'-dimethylhydrazine | NCGC00263131-01 | PF 3845 hydra

Especificações e pureza

Moligand™, ≥98%

Mecanismos bioquímicos e fisiológicos

PF 3845 is a potent, selective, and irreversible FAAH (fatty acid amide hydrolase) inhibitor. Suggested to function by by carbamylating FAAH’s serine nucleophile.Selective, irreversible FAAH inhibitor (K i = 0.23 μM). Anti-inflammatory effects in vivo. Cr

Informações legais

Sold for only research purposes

Condições de armazenamento de armazenamento

Store at 2-8°C

Enviado em

Wet ice

Este produto requer transporte de cadeia fria. Serviços terrestres e outros serviços econômicos não estão disponíveis.

Grau

Moligand™

Tipo de ação

INHIBITOR

Mecanismo de ação

Inhibitor of Fatty acid amide hydrolase

Nota

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Pureza

≥98%

Nomes e identificadores

Pubchem Sid

508811055

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/508811055

Sorrisos canónicos

C1CN(CCC1CC2=CC(=CC=C2)OC3=NC=C(C=C3)C(F)(F)F)C(=O)NC4=CN=CC=C4

IUPAC Name

N-pyridin-3-yl-4-[[3-[5-(trifluoromethyl)pyridin-2-yl]oxyphenyl]methyl]piperidine-1-carboxamide

InChIKey

NBOJHRYUGLRASX-UHFFFAOYSA-N

INCHI

1S/C24H23F3N4O2/c25-24(26,27)19-6-7-22(29-15-19)33-21-5-1-3-18(14-21)13-17-8-11-31(12-9-17)23(32)30-20-4-2-10-28-16-20/h1-7,10,14-17H,8-9,11-13H2,(H,30,32)

SMILES isoméricas

C1CN(CCC1CC2=CC(=CC=C2)OC3=NC=C(C=C3)C(F)(F)F)C(=O)NC4=CN=CC=C4

WGK Alemanha

3

Reaxy-Rn

20599234

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20599234&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Piperidines
      • Subclass Benzylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Piperidines
• Subclass: Benzylpiperidines
• Intermediate Tree Nodes: Not available
• Direct Parent: 4-benzylpiperidines
• Alternative Parents: Diarylethers Piperidinecarboxamides Phenoxy compounds Phenol ethers Pyridines and derivatives Heteroaromatic compounds Ureas Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 4-benzylpiperidine - Diaryl ether - 1-piperidinecarboxamide - Piperidinecarboxamide - Phenoxy compound - Phenol ether - Monocyclic benzene moiety - Benzenoid - Pyridine - Heteroaromatic compound - Carbonic acid derivative - Urea - Ether - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Organopnictogen compound - Alkyl fluoride - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Alkyl halide - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as 4-benzylpiperidines. These are organic compounds containing a benzyl group attached to the 4-position of a piperidine.
• 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 (2 Activities)

Discover Target: FAAH

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

HepG2 (196354 Activities)

Explore this target

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

FAAH2 Tchem Fatty-acid amide hydrolase 2 (6 Activities)

Discover Target: FAAH2

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

Alvos associados (não humanos)

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

Rattus norvegicus (775804 Activities)

Explore this target

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

Mecanismos de ação

Propriedades químicas e físicas

• Solubilidade: Soluble in DMSO (100 mM), ethanol (~20 mg/ml), DMF (~20 mg/ml), 1:3 EtOH:PBS(pH 7.2) (~0.25 mg/ml), and water (<1 mg/ml) at 25 °C.
• Peso molecular: 456.500 g/mol
• XLogP3: 4.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 456.177 Da
• Monoisotopic Mass: 456.177 Da
• Topological Polar Surface Area: 67.400 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 627.000
• 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