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 分子式: C₂₄H₂₃F₃N₄O₂ EC番号: 802-455-8

グレード＆純度 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

概要

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.

仕様

同義語

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

仕様と純度

Moligand™, ≥98%

生化学的・生理学的メカニズム

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

法的情報

Sold for only research purposes

保管条件

Store at 2-8°C

入荷

Wet ice

この製品は冷冷この冷このこの製品の運送が必要です。地上およびその他の経済サービスは利用できません。

等級

Moligand™

アクションタイプ

INHIBITOR

作用メカニズム

Inhibitor of Fatty acid amide hydrolase

注

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.

純度

≥98%

名前と識別子

パブケム・シド

508811055

パブケム・シド・ウル

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

カノニカル・スマイル

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)

異性体SMILES

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

WGKドイツ

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
    • 分類 Piperidines
      • Subclass Benzylpiperidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 分類: 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
• 説明: 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

関連ターゲット（人間）

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

関連ターゲット（非人間）

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

作用メカニズム

化学的性質と物理的性質

• 溶解度: 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.
• 分子量: 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