Due to the poor water solubility of rubidate, it is difficult to prepare and apply.In this work, the objective is to study the dissolution behavior of rubidate in (methanol + water) and (ethanol + water) mixtures and calculate apparent thermodn. properties.In selected two mixtures, it increased monotonically with the increasing mass fraction of alcs. at all researched temperaturesWhen the mass fraction of alc. is more than w = 0.5, the solubility increases sharply, and the largest mole solubility data was found in pure alcs. (3.344 x 10^-2 in methanol at 318.15 K, and 5.506 x 10^-2 in ethanol), the min. data was in pure water (0.581 x 10^-6 at 318.15 K), an increase of 5.76 x 10⁴ folds in methanol aqueous, and 9.48 x 10⁴ folds in ethanol aqueousThe commonly used thermodn. models (Jouyban-Acree model and CNIBS/R-K model) were used to correlate the exptl. results.Because the relative average deviation (RAD) of two models was more than 5%, the calculated value by two models was further evaluated with residual value anal.In the following, the anal. of apparent thermodn. properties indicated that the dissolution process is apparently not only endothermic but also entropy-driving.The study on the dissolution behavior of rubidate in alc. aqueous is helpful to optimize the preparation and purification process.

2018-06-01·Bioorganic & Medicinal Chemistry Letters

Discovery of {4-[4,9-bis(ethyloxy)-1-oxo-1,3-dihydro-2H-benzo[f]isoindol-2-yl]-2-fluorophenyl}acetic acid (GSK726701A), a novel EP4 receptor partial agonist for the treatment of pain

Article

作者: Price, Helen ; Stevens, David A ; Naylor, Alan ; Healy, Mark P ; Khaznadar, Tarik ; Michel, Anton D ; Swarbrick, Martin E ; Kay, Melanie A ; Giblin, Gerard M P ; Bailey, Kristin ; Chessell, Iain P ; Wilson, Alexander W ; Spalding, David J ; Billinton, Andy ; Allan, Amanda C ; Clayton, Nicholas M

A novel series of EP₄ agonists and antagonists have been identified, and then used to validate their potential in the treatment of inflammatory pain. This paper describes these novel ligands and their activity within a number of pre-clinical models of pain, ultimately leading to the identification of the EP₄ partial agonist GSK726701A.

2011-01-01·European Journal of Pharmaceutical Sciences2区 · 医学

Structure-based in silico model profiles the binding constant of poorly soluble drugs with β-cyclodextrin

2区 · 医学

Article

作者: Jiwen Zhang ; Yongjun Wang ; Le Sun ; Zhonggui He ; Jin Sun ; Haiyan Li ; Xiaofan Sui

Cyclodextrin inclusion complexation technique is the key method to enhance the solubility and absorption of poorly soluble drugs in the early development stage, and thus it is essential to predict the binding constant between drug molecules and cyclodextrin. Structure-based in silico model was constructed for a data set of 86 poorly soluble drugs and used to profile the binding constant of drug-β-cyclodextrin inclusion complex. The stepwise regression was employed to select the optimum subset of the independent variables. The in silico model was built by the multiple linear regression method and validated by the residual analysis, the normal Probability-Probability plot and Williams plot. For the entire data set, the R(2) and Q(2) of the model were 0.78 and 0.67, respectively. The results indicated that the fitted model is robust, stable and satisfies all the prerequisites of the regression models. The chemical space position and important contributors were compared between selected drug molecules and organic compounds available in the literature. It was suggested that the binding behavior of drug molecules with β-CD should differ from that of the common organic compounds. Focusing on structurally diverse drugs, the in silico model can be used as an efficient tool to rapidly screen the drug-β-cyclodextrin inclusion complex stability and to rationally design the new drug delivery system of poorly soluble drugs.

100 项与茜草双酯相关的药物交易

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