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 Summenformel: C₁₃H₁₆N₂O•₂HCl Molekulargewicht: 289.2

GRADE & PURITY ≥98%(HPLC)

Synonyms

Y0SNM34C6O | SSR591813L | SCHEMBL2354672 | Dianiclin-Dihydrochlorid | 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

Lagerung bei -20°C

Shipped In

Eistruhe + Eispads

Specifications

Synonyme

Y0SNM34C6O | SSR591813L | SCHEMBL2354672 | Dianiclin-Dihydrochlorid | 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

Spezifikationen & Reinheit

≥98%(HPLC)

Biochemische und physiologische Mechanismen

Selektiverα4β2 nAChR-Partialagonist (IC50= 105 nM). Zeigt eine >20-fache Selektivität fürα4β2 gegenüber anderen nAChR-Subtypen. Erhöht den Dopaminumsatz im Nucleus accumbensin vivo bei Ratten. Orale Bioverfügbarkeit.

Storage

Lagerung bei -20°C

Verschickt in

Eistruhe + Eispads

Aktionsart

PARTIAL AGONIST

Mechanismus der Wirkung

Neuronal acetylcholine receptor; alpha4/beta2 partial agonist

Reinheit

≥98%(HPLC)

Produkteigenschaften

• ALogP: 1.4

Namen und Kennungen

• Kanonisches Lächeln: 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
• Isomere SMILES: C1CN2CC[C@@]3(C2)[C@H]1OC4=C(C3)N=CC=C4
• Molekulargewicht: 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
    • Klasse Pyranopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: 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
• Beschreibung: 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

Zugehörige Ziele (nicht menschlich)

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

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:water, Max Conc. mg/mL: 28.92, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 5.78, Max Conc. mM: 20
• Molekulargewicht: 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