CAS 639489-84-2

N-[(2S,3R)-2-(3-Pyridinylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]-2-benzofurancarboxamide

Description:

N-[(2S,3R)-2-(3-Pyridinylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]-2-benzofurancarboxamide, with CAS number 639489-84-2, is a chemical compound characterized by its complex bicyclic structure and the presence of both a benzofuran and a pyridine moiety. This compound features a bicyclic amine framework, which contributes to its potential biological activity, particularly in the context of pharmacology. The stereochemistry indicated by the (2S,3R) configuration suggests specific spatial arrangements that may influence its interaction with biological targets, such as receptors or enzymes. The presence of the benzofuran group may enhance lipophilicity, potentially affecting its absorption and distribution in biological systems. Additionally, the compound's amide functional group can participate in hydrogen bonding, which is crucial for its binding affinity and specificity in biological interactions. Overall, this compound's unique structural features may render it of interest in medicinal chemistry, particularly for the development of therapeutics targeting neurological or psychiatric conditions.

Formula: C₂₂H₂₃N₃O₂

InChI: InChI=1S/C22H23N3O2/c26-22(20-13-17-5-1-2-6-19(17)27-20)24-21-16-7-10-25(11-8-16)18(21)12-15-4-3-9-23-14-15/h1-6,9,13-14,16,18,21H,7-8,10-12H2,(H,24,26)/t18-,21+/m0/s1

InChI key: InChIKey=OXKRFEWMSWPKKV-GHTZIAJQSA-N

SMILES: C([C@H]1[C@H](NC(=O)C2=CC=3C(O2)=CC=CC3)C4CCN1CC4)C=5C=CC=NC5

Synonyms:

• N-[(2S,3R)-2-(3-Pyridinylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]-2-benzofurancarboxamide
• 2-Benzofurancarboxamide, N-[(2S,3R)-2-(3-pyridinylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]-
• Bradanicline
• TC 5619
• (2S,3R)-N-[2-(Pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]oct-3-yl]benzo[b]furan-2-carboxamide

Bradanicline

CAS: 639489-84-2

Bradanicline: potent α7 nAChR agonist, EC50=17 nM, Ki=1.4 nM, used in cognitive disorder research.

Formula: C₂₂H₂₃N₃O₂

Color and Shape: Solid

Molecular weight: 361.44

Ref: TM-T61348