Gordon, Richard K. published the artcileDistance geometry of α-substituted 2,2-diphenylpropionate antimuscarinics, SDS of cas: 13444-24-1, the publication is Molecular Pharmacology (1989), 36(5), 766-72, database is CAplus and MEDLINE.
Quant. relationships between pharmacol. activities and phys. properties of a series of 2,2-diphenylpropionate compounds were used to define the topog. of the antagonist binding site of muscarinic receptors. XICAMM, a computer mol. modeling program, was used to calculate geometric and topol. values of the compounds The compounds were tested for their antimuscarinic activities by inhibition of [N-methyl-3H]scopolamine binding to the muscarinic receptors of N4TG1 neuroblastoma cells, by inhibition of carbachol-induced α-amylase release from rat pancreas acini, and by blocking acetylcholine-induced contraction of guinea pig ileum. To evaluate only the effect of the bond distance on the potency of the synthesized antimuscarinics, the compounds were designed to contain as many constant features as possible. Neither the hydrophobic nor the ester moieties of the compounds were changed, and the rings containing the protonated N saturated and restricted. The antimuscarinic activities obtained from the 3 assays correlated with each other, with the exception of 2 compounds The 2 compounds demonstrated specificity for the M3 muscarinic receptor subtype in the pancreas. The antimuscarinic activities were related to the bond distances between the carbonyl O (constant electroneg. locus) and the protonated N (center of cationic charge) of the 2,2-diphenylpropionate compounds Parabolic relationships between the pharmacol. activities and bond distances were empirically established. The shortest calculated bond distance of these compounds was ∼4.4 Å, whereas the longest was ∼5.9 Å. The maximum antimuscarinic potency was observed with a calculated bond distance of ∼5.2 Å in all 3 assays.
Molecular Pharmacology published new progress about 13444-24-1. 13444-24-1 belongs to piperidines, auxiliary class Piperidine,Alcohol, name is 1-Ethylpiperidin-3-ol, and the molecular formula is C7H15NO, SDS of cas: 13444-24-1.
Referemce:
https://en.wikipedia.org/wiki/Piperidine,
Piperidine | C5H11N – PubChem