52455-72-8Relevant academic research and scientific papers
Mutual Z-/E-isomerization of ferrocenylmethylene- and arylidene-substituted carbo- and heterocycles
Klimova, Elena I.,Ramírez, Lena Ruíz,Klimova, Tatiana,García, Marcos Martínez
, p. 43 - 53 (2007/10/03)
The treatment of Z-2-ferrocenylmethylene-, Z-2-arylidene-3-quinuclidinones and 3-methylene-quinuclidines, as well as E-3-ferrocenylmethylenecamphor, -menthone, and -cyclohexanone with NaBPh4 in acetic acid results in their reversible Z-/E-isomerization. The reaction proceeds via hydroxyallyl and crotyl carbocations with a fixed s-cis-conformation.
Identification of a series of 3-(benzyloxy)-1-azabicyclo[2.2.2]octane human NK1 antagonists
Swain,Seward,Cascieri,Fong,Herbert,MacIntyre,Merchant,Owen,Owens,Sabin,Teall,VanNiel,Williams,Sadowski,Strader,Ball,Baker
, p. 4793 - 4805 (2007/10/03)
The synthesis and in vitro and in vivo evaluation of a series of 3- (benzyloxy)-1-azabicyclo-[2.2.2]octane NK1 antagonists are described. While a number of 3,5-disubstituted benzyl ethers afford high affinity, the 3,5- bis(trifluoromethyl)benzyl was found to combine high in vitro affinity with good oral activity. Detailed structure-activity relationship studies in conjunction with data from molecular modeling and mutagenesis work have allowed the construction of a model of the pharmacophore. Specific interactions that have been identified include an interaction between His- 197 and one of the rings of the benzhydryl, a lipophilic pocket containing His-265 that the benzyl ether occupies, and a possible hydrogen bond between Gln-165 and the oxygen of the benzyl ether.
