Hoffmann-la Roche Inc.

F. Hoffmann-la Roche Ag

Holger Fischer

Manfred Kansy

Emmanuel Pinard

Georg Jaeschke

Bernd Buettelmann

Alexander Alanine

Marie-Paule Heitz Neidhart

Ren&eacute; Wyler

Joerg Huwyler

Frauke Assmus

Bjoern Wagner

The invention relates to a method for determining the binding constant of a compound of interest to proteins comprising the following steps: a) adding the high affinity compound to a two-chamber system, wherein the two chambers are separated by a semipermeable membrane, which is permeable for the compound of interest, and determining the amount of the high affinity compound of interest in one of the chambers after the distribution equilibrium has been reached, b) adding a sink compound to one of the chambers whereby the sink compound can not permeate the membrane, and determining the distribution coefficient of the compound of interest to the sink compound after the distribution equilibrium has been reached, c) adding an unspecific protein to the other chamber, whereby the unspecific protein can not permeate the membrane, and determining the distribution coefficient of the compound of interest to the unspecific protein in presence of a sink compound after the distribution equilibrium has been reached, and d) determining the binding constant of the test compound with the distribution coefficient of steps b) and c).

Method for determining the binding constant of high affinity compounds

The present invention relates to automated generation of multi-dimensional structure activity and structure property relationships.

Automated generation of multi-dimensional structure activity and structure property relationships

The present invention relates to a novel method for determining the lipophilicity of a compound of interest comprising a) providing a layer, b) impregnating said layer with a solvent A, c) applying a dissolved compound of interest on the impregnated layer, d) adding a solvent B, e) removing the solvent B after the distribution equilibrium has been reached, and f) determining the quantity of the compound of interest in at least one of the solvent phases.

Determination of high lipophilicity values

Prodrug acid esters of &lsqb;2-(4-benzyl-3-hydroxy-piperidin-1-yl)-ethansulfonyl&rsqb;phenol

Growing community of inventors

Grellingen, Switzerland

Holger Fischer