110283-79-9

Basic information

• Product Name: CI 966
• Synonyms: 3-Pyridinecarboxylic acid, 1-(2-(bis(4-(trifluoromethyl)phenyl)methoxy)ethyl)-1,2,5,6-tetrahydro-; 1-(2-(Bis(4-(trifluoromethyl)phenyl)methox)ethyl)-1,2,5,6-tetrahydro-3-pyrdinecarboxylic acid; 1-(2-{bis[4-(trifluoromethyl)phenyl]methoxy}ethyl)-1,2,5,6-tetrahydropyridine-3-carboxylic acid
• CAS NO: 110283-79-9
• Molecular Formula: C₂₃H₂₁F₆NO₃
• Molecular Weight: 473.4081592
• Mol File: 110283-79-9.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 514.1°Cat760mmHg
• Flash Point: 264.7°C
• Appearance: /
• Density: 1.34g/cm³
• Vapor Pressure: 2.16E-11mmHg at 25°C
• Refractive Index: 1.517
• CAS DataBase Reference: CI 966(CAS DataBase Reference)
• NIST Chemistry Reference: CI 966(110283-79-9)
• EPA Substance Registry System: CI 966(110283-79-9)

Safety Data

• Hazardous Substances Data: 110283-79-9(Hazardous Substances Data)

Usage

InChI:InChI=1/C23H21F6NO3/c24-22(25,26)18-7-3-15(4-8-18)20(16-5-9-19(10-6-16)23(27,28)29)33-13-12-30-11-1-2-17(14-30)21(31)32/h2-10,20H,1,11-14H2,(H,31,32)

Upstream product

• 132284-14-1 1-<<(2-bromoethoxy)-4-(trifluoromethyl)phenyl>methyl>-4-(trifluoromethyl)benzene 
• 402-43-7 p-trifluoromethylphenyl bromide 
• 455-19-6 4-Trifluoromethylbenzaldehyde 
• 132284-15-2 1,2,5,6-tetrahydro-1-<2-methoxy>ethyl>-3-pyridinecarboxylic acid methyl ester 
• 22543-52-8 bis(4-trifluoromethylphenyl)methanol 

Relevant articles and documents

Structure-Activity Studies on Benzhydrol-Containing Nipecotic Acid and Guvacine Derivatives as Potent, Orally-Active Inhibitors of GABA Uptake

The introduction of lipophilic groups onto the ring nitrogen of nipecotic acid and guvacine, two known GABA uptake inhibitors, afforded potent, orally-active anticonvulsant drugs.A series of compounds is reported which explores the structure-activity relationships (SAR) in this series.Among the areas explored: side-chain SAR (aromatic-, heterocyclic-, and tricyclic-containing side chains) and modifications to the tetrahydropyridine ring.The benzhydrol ether-containing side chains afforded the most potent compounds with several exhibiting in vitro IC50 values for GABA uptake of 1 μM (including 5, Table I; 37, 43, Table IV; and 44, Table V).Compound 44 was selected for extensive evaluation and subsequently progressed to Phase 1 clinical trials with severe adverse effects seen after single dose administration to humans.