PHA 543613 hydrochloride - ≥98%(HPLC) , CAS No.1586767-92-1

CAS: 1586767-92-1 Cat. No.: P288102 Summenformel: C₁₅H₁₇N₃O₂.HCl Molekulargewicht: 307.78 PubChem CID: 56972222

GRADE & PURITY ≥98%(HPLC)

Synonyms

13XQH31A5R | Furo(2,3-C)pyridine-5-carboxamide, N-(3R)-1-azabicyclo(2.2.2)oct-3-yl-, hydrochloride (1:1) | N-[(3r)-1-azabicyclo[2.2.2]oct-3-yl]furo[2,3-c]pyridine-5-carboxamide hydrochloride | N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-ca

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Synonyme

13XQH31A5R | Furo(2,3-C)pyridine-5-carboxamide, N-(3R)-1-azabicyclo(2.2.2)oct-3-yl-, hydrochloride (1:1) | N-[(3r)-1-azabicyclo[2.2.2]oct-3-yl]furo[2,3-c]pyridine-5-carboxamide hydrochloride | N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-ca

Spezifikationen & Reinheit

≥98%(HPLC)

Biochemische und physiologische Mechanismen

Potentα7 nAChR agonist that displays selectivity overα3β4,α1β1γδ,α4β2 and 5-HT3receptors. Positively influences sensory gating and memory inin vivomodels of schizophrenia. Orally active and brain penetrant.

Storage

Store at 2-8°C

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Aktionsart

AGONIST

Reinheit

≥98%(HPLC)

Namen und Kennungen

Kanonisches Lächeln

C1CN2CCC1C(C2)NC(=O)C3=NC=C4C(=C3)C=CO4.Cl

IUPAC Name

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide;hydrochloride

InChIKey

YMTPSZUBRSEWNY-ZOWNYOTGSA-N

INCHI

1S/C15H17N3O2.ClH/c19-15(12-7-11-3-6-20-14(11)8-16-12)17-13-9-18-4-1-10(13)2-5-18;/h3,6-8,10,13H,1-2,4-5,9H2,(H,17,19);1H/t13-;/m0./s1

Isomere SMILES

C1CN2CCC1[C@H](C2)NC(=O)C3=NC=C4C(=C3)C=CO4.Cl

PubChem CID

56972222

Molekulargewicht

307.78

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Pyridinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Pyridinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinecarboxamides
• Alternative Parents: Furo[2,3-c]pyridines Quinuclidines 2-heteroaryl carboxamides Piperidines Heteroaromatic compounds Furans Trialkylamines Secondary carboxylic acid amides Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Furo[2,3-c]pyridine - Furopyridine - Pyridinecarboxamide - 2-heteroaryl carboxamide - Quinuclidine - Piperidine - Furan - Heteroaromatic compound - Amino acid or derivatives - Carboxamide group - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Carboxylic acid derivative - Oxacycle - Azacycle - Amine - Hydrochloride - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as pyridinecarboxamides. These are compounds containing a pyridine ring bearing a carboxamide.
• 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Solvent:water, Max Conc. mg/mL: 30.78, Max Conc. mM: 100; Solvent:DMSO, Max Conc. mg/mL: 7.69, Max Conc. mM: 25
• Molekulargewicht: 307.770 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 307.109 Da
• Monoisotopic Mass: 307.109 Da
• Topological Polar Surface Area: 58.400 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 381.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• 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

XLogP3