PF-03654764 - ≥98% , Histamine H3 receptor antagonist, CAS No.935840-35-0, Histamine H3 receptor antagonist

CAS: 935840-35-0 Cat. No.: P650652 Fórmula: C₂₀H₂₈F₂N₂O Peso molecular: 350.45 PubChem CID: 16119082

GRADE & PURITY ≥98%

Synonyms

H3 receptor antagonist 1 | Cyclobutanecarboxamide, 3-fluoro-3-[3-fluoro-4-(1-pyrrolidinylmethyl)phenyl]-N-(2-methylpropyl)-, trans-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Visão geral

PF-03654764 has pK i values of 8.98 and 8.10 for human H 3 and rat H 3 in whole cell assay, respectively. PF-03654764 has pK i values of 8.84, 7.73 and K i values of 1.4 nM and 19 nM for human H 3 and rat H 3 in HEK-293 cells, respectively. PF-03654764 has >1000-fold selectivity for the H3 receptor over the other histamine receptor subtypes. PF-03654764 has a human liver microsomes (HLM) T 1/2 of 120 min and a HLM CL h <5 mL/min•kg. MCE has not independently confirmed the accuracy of these methods. They are for reference only.

In Vivo

PF-03654764 (10 mL/kg; oral; 14 days) has a C max of 8057 ng/mL and an AUC 0-24 of 67400 ng•h/mL in Sprague-Dawley rats . PF-03654764 (1 mL/kg; oral; 7 days) has a C max of 6302 ng/mL and an AUC 0-24 of 18175 ng•h/mL in beagle dogs . MCE has not independently confirmed the accuracy of these methods. They are for reference only.

Form:Solid

IC50& Target:human H 3 receptor 1.2 nM (Ki) rat H 3 receptor 7.9 nM (Ki) human H 3 receptor 8.98 (pKi) rat H 3 receptor 8.10 (pKi)

Specifications

Sinónimos

H3 receptor antagonist 1 | Cyclobutanecarboxamide, 3-fluoro-3-[3-fluoro-4-(1-pyrrolidinylmethyl)phenyl]-N-(2-methylpropyl)-, trans-

Especificações e pureza

≥98%

Mecanismos bioquímicos e fisiológicos

PF-03654764 is an orally active, selective histamine H3 receptor antagonist with Ki values of 1.2 nM and 7.9 nM for human H3 and rat H3 in whole cell assay, respectively. The combination of PF-03654764 and Fexofenadine (HY-B0801A) has the potential for al

Condições de armazenamento de armazenamento

Store at -20°C

Enviado em

Ice chest + Ice pads

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

Tipo de ação

ANTAGONIST

Mecanismo de ação

Histamine H3 receptor antagonist

Pureza

≥98%

Nomes e identificadores

• Sorrisos canónicos: CC(C)CNC(=O)C1CC(C1)(C2=CC(=C(C=C2)CN3CCCC3)F)F
• IUPAC Name: 3-fluoro-3-[3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl]-N-(2-methylpropyl)cyclobutane-1-carboxamide
• InChIKey: DJRDLCHHQYHQQK-UHFFFAOYSA-N
• INCHI: 1S/C20H28F2N2O/c1-14(2)12-23-19(25)16-10-20(22,11-16)17-6-5-15(18(21)9-17)13-24-7-3-4-8-24/h5-6,9,14,16H,3-4,7-8,10-13H2,1-2H3,(H,23,25)
• SMILES isoméricas: CC(C)CNC(=O)C1CC(C1)(C2=CC(=C(C=C2)CN3CCCC3)F)F
• CAS alternativo: 935840-35-0
• PubChem CID: 16119082
• Termos de entrada MeSH: 3-fluoro-3-(3-fluoro-4-(pyrrolidin-1-ylmethyl)phenyl)-N-(2-methylpropyl)cyclobutanecarboxamide;PF 03654764;PF-03654764;PF03654764
• Peso molecular: 350.45

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Benzylamines Fluorobenzenes Aralkylamines N-alkylpyrrolidines Aryl fluorides Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Organofluorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl fluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzylamine - Phenylmethylamine - Fluorobenzene - Halobenzene - Aralkylamine - Aryl fluoride - Aryl halide - N-alkylpyrrolidine - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Amino acid or derivatives - Carboxamide group - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organofluoride - Carbonyl group - Organic nitrogen compound - Alkyl halide - Alkyl fluoride - Organonitrogen compound - Amine - Organooxygen compound - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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)

HRH3 Tclin Histamine H3 receptor (10389 Activities)

Discover Target: HRH3

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

Caco-2 (12174 Activities)

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Liver microsomes (16955 Activities)

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Alvos associados (não humanos)

Canis familiaris (36305 Activities)

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Rattus norvegicus (775804 Activities)

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MDCK (10148 Activities)

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Mecanismos de ação

Propriedades químicas e físicas

• Peso molecular: 350.400 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 350.217 Da
• Monoisotopic Mass: 350.217 Da
• Topological Polar Surface Area: 32.299 Ų
• Heavy Atom Count: 25
• Formal Charge: 0
• Complexity: 459.000
• 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

Perguntas frequentes

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 935840-35-0, the molecular formula is C20H28F2N2O, and the molecular weight is 350.45 g/mol. InChIKey DJRDLCHHQYHQQK-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.