Dianicline - ≥98%(HPLC) , Neuronal acetylcholine receptor; alpha4/beta2 partial agonist, CAS No.292634-27-6, Neuronal acetylcholine receptor; alpha4/beta2 partial agonist

CAS: 292634-27-6 Cat. No.: D287482 Formule: C₁₃H₁₆N₂O•₂HCl Poids moléculaire: 289.2

GRADE & PURITY ≥98%(HPLC)

Synonyms

Y0SNM34C6O | SSR591813L | SCHEMBL2354672 | Dianicline dihydrochloride | Q5271647 | UNII-Y0SNM34C6O | (1R,10S)-9-oxa-4,13-diazatetracyclo[11.2.1.01,10.03,8]hexadeca-3(8),4,6-triene | (5aS,10aR)-6,7,9,10-Tetrahydro-5aH,11H-8,10a-methanopyrido(2',3':5,6)pyra

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

Y0SNM34C6O | SSR591813L | SCHEMBL2354672 | Dianicline dihydrochloride | Q5271647 | UNII-Y0SNM34C6O | (1R,10S)-9-oxa-4,13-diazatetracyclo[11.2.1.01,10.03,8]hexadeca-3(8),4,6-triene | (5aS,10aR)-6,7,9,10-Tetrahydro-5aH,11H-8,10a-methanopyrido(2',3':5,6)pyra

Spécifications et pureté

≥98%(HPLC)

Mécanismes biochimiques et physiologiques

Selectiveα4β2 nAChR partial agonist (IC50= 105 nM). Exhibits >20-fold selectivity forα4β2 over other nAChR subtypes. Increases dopamine turnover in rat nucleus accumbensin vivo. Orally bioavailable.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

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

Type d'action

PARTIAL AGONIST

Mécanisme d'action

Neuronal acetylcholine receptor; alpha4/beta2 partial agonist

Pureté

≥98%(HPLC)

Propriétés du produit

• ALogP: 1.4

Noms et identifiants

• Sourires canoniques: C1CN2CCC3(C2)C1OC4=C(C3)N=CC=C4
• IUPAC Name: (1R,10S)-9-oxa-4,13-diazatetracyclo[11.2.1.01,10.03,8]hexadeca-3(8),4,6-triene
• InChIKey: SUPRUPHAEXPGPF-QWHCGFSZSA-N
• INCHI: 1S/C13H16N2O/c1-2-11-10(14-5-1)8-13-4-7-15(9-13)6-3-12(13)16-11/h1-2,5,12H,3-4,6-9H2/t12-,13+/m0/s1
• Isomères SMILES: C1CN2CC[C@@]3(C2)[C@H]1OC4=C(C3)N=CC=C4
• Poids moléculaire: 289.2
• Reaxy-Rn: 14144545
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14144545&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyranopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyranopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyranopyridines
• Alternative Parents: Azepanes Aralkylamines Alkyl aryl ethers Pyridines and derivatives Piperidines N-alkylpyrrolidines Heteroaromatic compounds Trialkylamines Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Pyranopyridine - Alkyl aryl ether - Azepane - Aralkylamine - Piperidine - Pyridine - N-alkylpyrrolidine - Heteroaromatic compound - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Ether - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as pyranopyridines. These are polycyclic aromatic compounds containing a pyran ring fused to a pyridine ring.
• 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 (non humaines)

Chrna3 Neuronal acetylcholine receptor; alpha3/beta2 (421 Activities)

Discover Target: Chrna3

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:water, Max Conc. mg/mL: 28.92, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 5.78, Max Conc. mM: 20
• Poids moléculaire: 216.280 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 216.126 Da
• Monoisotopic Mass: 216.126 Da
• Topological Polar Surface Area: 25.400 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 296.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 2
• 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