AdipoRon hydrochloride - ≥98%(HPLC) , CAS No.1781835-20-8

CAS: 1781835-20-8 Cat. No.: A287846 Molecular Weight: 464.98

GRADE & PURITY ≥98%(HPLC)

Synonyms

2-(4-Benzyoylphenoxy)-N-[1-(phenylmethyl)-4-piperidinyl]acetamide hydrochloride

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

2-(4-Benzyoylphenoxy)-N-[1-(phenylmethyl)-4-piperidinyl]acetamide hydrochloride

Specifications & Purity

≥98%(HPLC)

Biochemical and Physiological Mechanisms

Agonist of adiponectin receptors AdipoR1 and AdipoR2 (Kdvalues are 1.8 and 3.1μM respectively). Activates AMPK and PPARαsignaling; ameliorates insulin resistance, dyslipidemia and glucose intolerance indb/dbmice. Orally active antidiabetic agent.

Storage

Store at -20°C, Desiccated

Shipped In

Ice chest + Ice pads

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

Action Type

AGONIST

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504772421
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504772421
• Canonical Smiles: C1CN(CCC1NC(=O)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)CC4=CC=CC=C4.Cl
• IUPAC Name: 2-(4-benzoylphenoxy)-N-(1-benzylpiperidin-4-yl)acetamide;hydrochloride
• InChIKey: TZVJQEGKRLDTHQ-UHFFFAOYSA-N
• INCHI: 1S/C27H28N2O3.ClH/c30-26(28-24-15-17-29(18-16-24)19-21-7-3-1-4-8-21)20-32-25-13-11-23(12-14-25)27(31)22-9-5-2-6-10-22;/h1-14,24H,15-20H2,(H,28,30);1H
• Isomeric SMILES: C1CN(CCC1NC(=O)COC2=CC=C(C=C2)C(=O)C3=CC=CC=C3)CC4=CC=CC=C4.Cl
• Molecular Weight: 464.98
• Reaxy-Rn: 58435054
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=58435054&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzophenones

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzophenones
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzophenones
• Alternative Parents: N-benzylpiperidines Diphenylmethanes Aryl-phenylketones Phenylmethylamines Phenoxy compounds Phenol ethers Benzylamines Benzoyl derivatives Alkyl aryl ethers Aralkylamines Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzophenone - Aryl-phenylketone - Diphenylmethane - N-benzylpiperidine - Benzylpiperidine - Phenoxy compound - Benzoyl - Benzylamine - Phenol ether - Phenylmethylamine - Aryl ketone - Alkyl aryl ether - Aralkylamine - Piperidine - Tertiary amine - Secondary carboxylic acid amide - Tertiary aliphatic amine - Amino acid or derivatives - Carboxamide group - Ketone - Organoheterocyclic compound - Azacycle - Ether - Carboxylic acid derivative - Amine - Hydrocarbon derivative - Organonitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrochloride - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzophenones. These are organic compounds containing a ketone attached to two phenyl groups.
• 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

Chemical and Physical Properties

• Solubility: Solvent:DMSO, Max Conc. mg/mL: 46.5, Max Conc. mM: 100; Solvent:ethanol, Max Conc. mg/mL: 4.65, Max Conc. mM: 10
• Molecular Weight: 465.000 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 464.187 Da
• Monoisotopic Mass: 464.187 Da
• Topological Polar Surface Area: 58.600 Ų
• Heavy Atom Count: 33
• Formal Charge: 0
• Complexity: 582.000
• 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

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