SNAP 94847 hydrochloride - ≥98%(HPLC) , CAS No.1781934-47-1

CAS: 1781934-47-1 Cat. No.: S287629 Fórmula: C₂₉H₃₃ClF₂N₂O₂ Peso molecular: 515.03 PubChem CID: 56972235

GRADE & PURITY ≥98%(HPLC)

Synonyms

N-[3-[1-[[4-(3,4-Difluorophenoxy)phenyl]methyl]-4-piperidinyl]-4-methylphenyl]-2-methylpropanamide hydrochloride

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Sinónimos

N-[3-[1-[[4-(3,4-Difluorophenoxy)phenyl]methyl]-4-piperidinyl]-4-methylphenyl]-2-methylpropanamide hydrochloride

Especificações e pureza

≥98%(HPLC)

Mecanismos bioquímicos e fisiológicos

Potent melanin-concentrating hormone receptor 1 (MCH1) antagonist (Ki= 2.2 nM, KD= 530 pM) that displays > 80-fold and > 500-fold selectivity overα1Aand D2receptors respectively. Increases neurogenesis in the dentate gyrus and decreases food-reinforced op

Condições de armazenamento de armazenamento

Store at -20°C,Desiccated

Enviado em

Ice chest + Ice pads

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

Pureza

≥98%(HPLC)

Nomes e identificadores

Pubchem Sid

504771525

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504771525

Sorrisos canónicos

CC1=C(C=C(C=C1)NC(=O)C(C)C)C2CCN(CC2)CC3=CC=C(C=C3)OC4=CC(=C(C=C4)F)F.Cl

IUPAC Name

N-[3-[1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperidin-4-yl]-4-methylphenyl]-2-methylpropanamide;hydrochloride

InChIKey

DEDUDFNRQKUBRH-UHFFFAOYSA-N

INCHI

1S/C29H32F2N2O2.ClH/c1-19(2)29(34)32-23-7-4-20(3)26(16-23)22-12-14-33(15-13-22)18-21-5-8-24(9-6-21)35-25-10-11-27(30)28(31)17-25;/h4-11,16-17,19,22H,12-15,18H2,1-3H3,(H,32,34);1H

SMILES isoméricas

CC1=C(C=C(C=C1)NC(=O)C(C)C)C2CCN(CC2)CC3=CC=C(C=C3)OC4=CC(=C(C=C4)F)F.Cl

PubChem CID

56972235

Peso molecular

515.03

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: N-benzylpiperidines
• Alternative Parents: Diphenylethers Phenylpiperidines Diarylethers Anilides Benzylamines N-arylamides Phenol ethers Phenoxy compounds Phenylmethylamines Fluorobenzenes Toluenes Aralkylamines Aryl fluorides Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Organic oxides Organofluorides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: N-benzylpiperidine - Diphenylether - Phenylpiperidine - Diaryl ether - Anilide - Benzylamine - Phenoxy compound - Phenol ether - Phenylmethylamine - N-arylamide - Fluorobenzene - Halobenzene - Toluene - Aralkylamine - Benzenoid - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Tertiary amine - Secondary carboxylic acid amide - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Ether - Hydrochloride - Amine - Organic oxygen compound - Organic oxide - Organohalogen compound - Carbonyl group - Organic nitrogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as n-benzylpiperidines. These are heterocyclic Compounds containing a piperidine ring conjugated to a benzyl group through one nitrogen ring atom.
• 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

Propriedades químicas e físicas

• Solubilidade: Solvent:DMSO, Max Conc. mg/mL: 51.5, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 51.5, Max Conc. mM: 100
• Peso molecular: 515.000 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 514.22 Da
• Monoisotopic Mass: 514.22 Da
• Topological Polar Surface Area: 41.600 Ų
• Heavy Atom Count: 36
• Formal Charge: 0
• Complexity: 661.000
• 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: 2

XLogP3

Perguntas frequentes

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by HPLC. Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C, desiccated. Keep the container tightly closed with desiccant — the material is moisture-sensitive.

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 1781934-47-1, the molecular formula is C29H33ClF2N2O2, and the molecular weight is 515.03 g/mol. InChIKey DEDUDFNRQKUBRH-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.