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 Formula: C₁₃H₁₆N₂O•₂HCl Peso molecolare: 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

Sinonimi

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

Specifiche e purezza

≥98%(HPLC)

Meccanismi biochimici e fisiologici

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.

Condizioni di conservazione di stoccaggio

Store at -20°C

Spedito in

Ice chest + Ice pads

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Tipo di azione

PARTIAL AGONIST

Meccanismo d'azione

Neuronal acetylcholine receptor; alpha4/beta2 partial agonist

Purezza

≥98%(HPLC)

Proprietà del prodotto

• ALogP: 1.4

Nomi e identificatori

• Sorrisi canonici: 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
• Isomeri SMILES: C1CN2CC[C@@]3(C2)[C@H]1OC4=C(C3)N=CC=C4
• Peso molecolare: 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
• Descrizione: 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

Obiettivi associati (non umani)

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

Meccanismi d'azione

Proprietà chimiche e fisiche

• Solubilità: Solvent:water, Max Conc. mg/mL: 28.92, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 5.78, Max Conc. mM: 20
• Peso molecolare: 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