1396802-78-0

Basic information

• Product Name: 2-(2-(2-(4-((3H-spiro[2-benzofuran-1,4′-piperidin]-1′-yl)methyl)phenoxy)ethoxy)ethoxy)ethyl 4-methylbenzenesulfonate
• Synonyms: 2-(2-(2-(4-((3H-spiro[2-benzofuran-1,4′-piperidin]-1′-yl)methyl)phenoxy)ethoxy)ethoxy)ethyl 4-methylbenzenesulfonate
• CAS NO: 1396802-78-0
• Molecular Weight: 581.73
• Mol File: 1396802-78-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 2-(2-(2-(4-((3H-spiro[2-benzofuran-1,4′-piperidin]-1′-yl)methyl)phenoxy)ethoxy)ethoxy)ethyl 4-methylbenzenesulfonate(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(2-(2-(4-((3H-spiro[2-benzofuran-1,4′-piperidin]-1′-yl)methyl)phenoxy)ethoxy)ethoxy)ethyl 4-methylbenzenesulfonate(1396802-78-0)
• EPA Substance Registry System: 2-(2-(2-(4-((3H-spiro[2-benzofuran-1,4′-piperidin]-1′-yl)methyl)phenoxy)ethoxy)ethoxy)ethyl 4-methylbenzenesulfonate(1396802-78-0)

Safety Data

• Hazardous Substances Data: 1396802-78-0(Hazardous Substances Data)

Upstream product

• 123-08-0 4-hydroxy-benzaldehyde 
• 38309-60-3 3H-spiro[2-benzofuran-1,4'-piperidine] 
• 98-59-9 p-toluenesulfonyl chloride 
• 1396802-70-2 4-((3H-spiro[2-benzofuran-1,4′-piperidine]-1′-yl)methyl)phenol 
• 19249-03-7 triethylene glycol di-(p-toluenesulfonate) 
• 112-27-6 2,2'-[1,2-ethanediylbis(oxy)]bisethanol 

Downstream Products

• 1396802-65-5 C₂₅H₃₂⁽¹⁸⁾FNO₄ 

Relevant articles and documents

Synthesis and evaluation of novel 18F-labeled spirocyclic piperidine derivatives as σ1 receptor ligands for positron emission tomography imaging

A series of spirocyclic piperidine derivatives were designed and synthesized as σ1 receptor ligands. In vitro competition binding assays showed that 1′-(4-(2-fluoroethoxy)benzyl)-3H-spiro[2- benzofuran-1,4′-piperidine] (19) possessed high σ1 receptor affinity (Ki = 0.79 nM) and excellent σ1/ σ2 subtype selectivity (350-fold) as well as high σ1/VAChT selectivity (799-fold). The radiolabeled compound [18F]19 was synthesized by substitution of the tosylate precursor 24 with [18F]fluoride, with an isolated radiochemical yield of 35-60%, a radiochemical purity of >99%, and a specific activity of 30-55 GBq/μmol. Biodistribution studies in imprinting control region mice indicated that [ 18F]19 displayed excellent initial brain uptake and slow washout. Ex vivo autoradiography in Sprague-Dawley rats demonstrated high accumulation of the radiotracer in brain areas known to express high levels of σ1 receptors. Micro positron emission tomography imaging and blocking studies confirmed the specific binding of [18F]19 to σ1 receptors in vivo.