Lobeline hydrochloride - 10mM in DMSO , CAS No.134-63-4

CAS: 134-63-4 Cat. No.: L421304 Formule: C₂₂H₂₈ClNO₂ Poids moléculaire: 373.93 Numéro CE: 205-150-2

GRADE & PURITY 10mM in DMSO

Synonyms

LOBELINE HYDROCHLORIDE|134-63-4|2-(6-(2-Hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl)-1-phenylethanone hydrochloride|63990-84-1|Zoolobelin|(-)-Lobeline hydrochloride|2-(6-(beta-Hydroxyphenethyl)-1-methyl-2-piperidyl)acetophenone hydrochloride|2-[6-(2-hyd

Storage

Store at -80°C

Shipped In

Dry ice packs + Cold packs

Vue d’ensemble

Lobeline hydrochloride is an alkaloid that acts on nicotinic cholinergic receptors but is less potent than nicotine. It is also a VMAT2 ligand and an antagonist of μ-opioid receptors.

Solubility ≥37.5 mg/mL in EtOH with ultrasonic; ≥37.8 mg/mL in H2O with gentle warming and ultrasonic; ≥74.8 mg/mL in DMSO

Specifications

Synonymes

LOBELINE HYDROCHLORIDE | 134-63-4 | 2-(6-(2-Hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl)-1-phenylethanone hydrochloride | 63990-84-1 | Zoolobelin | (-)-Lobeline hydrochloride | 2-(6-(beta-Hydroxyphenethyl)-1-methyl-2-piperidyl)acetophenone hydrochloride | 2-[6-(2-hyd

Spécifications et pureté

10mM in DMSO

Mécanismes biochimiques et physiologiques

High affinity, partial agonist with a Kivalue of 4.4 nM in rat brain.

Conditions de stockage de stockage

Store at -80°C

Expédié en

Dry ice packs + Cold packs

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Noms et identifiants

• Pubchem Sid: 528773872
• Sourires canoniques: CN1C(CCCC1CC(=O)C2=CC=CC=C2)CC(C3=CC=CC=C3)O.Cl
• IUPAC Name: 2-[6-(2-hydroxy-2-phenylethyl)-1-methylpiperidin-2-yl]-1-phenylethanone;hydrochloride
• InChIKey: MKMYPTLXLWOUSO-UHFFFAOYSA-N
• INCHI: 1S/C22H27NO2.ClH/c1-23-19(15-21(24)17-9-4-2-5-10-17)13-8-14-20(23)16-22(25)18-11-6-3-7-12-18;/h2-7,9-12,19-21,24H,8,13-16H2,1H3;1H
• Isomères SMILES: CN1C(CCCC1CC(=O)C2=CC=CC=C2)CC(C3=CC=CC=C3)O.Cl
• CAS alternatif: 90-69-7
• Poids moléculaire: 373.93
• Reaxy-Rn: 31539540
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=31539540&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Benzoyl derivatives Aryl alkyl ketones Aralkylamines Piperidines Beta-amino ketones 1,3-aminoalcohols Trialkylamines Secondary alcohols Azacyclic compounds Organopnictogen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives Aromatic alcohols
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Aralkylamine - Monocyclic benzene moiety - Beta-aminoketone - Piperidine - Benzenoid - 1,3-aminoalcohol - Secondary alcohol - Tertiary amine - Tertiary aliphatic amine - Azacycle - Organoheterocyclic compound - Hydrochloride - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Amine - Alcohol - Aromatic alcohol - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• 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

Cibles associées (humaines)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

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Discover Target: ALOX15B

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

Discover Target: TDP1

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Mécanismes d'action

Propriétés chimiques et physiques

• Poids moléculaire: 373.900 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 373.181 Da
• Monoisotopic Mass: 373.181 Da
• Topological Polar Surface Area: 40.500 Ų
• Heavy Atom Count: 26
• Formal Charge: 0
• Complexity: 412.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 3
• 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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