scholarly journals Solvent-Interactive Transformations of Pharmaceutical Compounds

10.5772/59586 ◽  
2015 ◽  
Author(s):  
Marique Elizabeth Aucamp ◽  
Wilna Liebenberg ◽  
Nicole Stieger
Keyword(s):  
Pharmaceutical Compounds

A Practical and General Approach to the Late-Stage Functionalization of Complex Sulfonamides

2019 ◽  
Author(s):  
Patrick Fier ◽  
Kevin M. Maloney
Keyword(s):  
Functional Groups ◽  
Late Stage ◽  
Building Blocks ◽  
Pharmaceutical Compounds ◽  
Stage Conversion

Herein we describe the development and application of a method for the mild, late-stage conversion of primary sulfonamides to several other other functional groups. These reactions occur via initial reductive deamination of sulfonamides to sulfinates via an NHC-catalyzed reaction of transiently formed <i>N</i>-sulfonylimines. The method described here is tolerant of nearly all common functional groups, as exemplified by the late-stage derivatization of several complex pharmaceutical compounds. Based on the prevalence of sulfonamide-containing drugs and building blocks, we have developed a method to enable sulfonamides to be applied as versatile synthetic handles for synthetic chemsitry.

A Practical and General Approach to the Late-Stage Functionalization of Complex Sulfonamides

2019 ◽  
Author(s):  
Patrick Fier ◽  
Kevin M. Maloney
Keyword(s):  
Functional Groups ◽  
Late Stage ◽  
Building Blocks ◽  
Pharmaceutical Compounds ◽  
Stage Conversion

Herein we describe the development and application of a method for the mild, late-stage conversion of primary sulfonamides to several other other functional groups. These reactions occur via initial reductive deamination of sulfonamides to sulfinates via an NHC-catalyzed reaction of transiently formed <i>N</i>-sulfonylimines. The method described here is tolerant of nearly all common functional groups, as exemplified by the late-stage derivatization of several complex pharmaceutical compounds. Based on the prevalence of sulfonamide-containing drugs and building blocks, we have developed a method to enable sulfonamides to be applied as versatile synthetic handles for synthetic chemsitry.

Quantitative Structure-activity Relationship Analysis for Predicting Lipophilicity of Aniline Derivatives (Including some Pharmaceutical Compounds)

2019 ◽  
Vol 22 (5) ◽  
pp. 333-345
Author(s):  
Morteza Rezaei ◽  
Esmat Mohammadinasab ◽  
Tahere Momeni Esfahani
Keyword(s):  
Density Functional ◽  
Pharmaceutical Compounds ◽  
Partial Least Square ◽  
Least Square ◽  
Basis Set ◽  
Van Der Waals Volume ◽  
Relationship Analysis ◽  
Aniline Derivatives ◽  
Aqueous Solvent ◽  
Qsar Models

Background: In this study, we used a hierarchical approach to develop quantitative structureactivity relationship (QSAR) models for modeling lipophilicity of a set of 81 aniline derivatives containing some pharmaceutical compounds. Objective: The multiple linear regression (MLR), principal component regression (PCR) and partial least square regression (PLSR) methods were utilized to construct QSAR models. Materials & Methods: Quantum mechanical calculations at the density functional theory level and 6- 311++G** basis set were carried out to obtain the optimized geometry and then, the comprehensive set of molecular descriptors was computed by using the Dragon software. Genetic algorithm (GA) was applied to select suitable descriptors which have the most correlation with lipophilicity of the studied compounds. Results: It was identified that such descriptors as Barysz matrix (SEigZ), hydrophilicity factor (Hy), Moriguchi octanol-water partition coefficient (MLOGP), electrophilicity (ω/eV) van der Waals volume (vWV) and lethal concentration (LC50/molkg-1) are the best descriptors for QSAR modeling. The high correlation coefficients and the low prediction errors for MLR, PCR and PLSR methods confirmed good predictability of the three models. Conclusion: In present study, the high correlation between experimental and predicted logP values of aniline derivatives indicated the validation and the good quality of the resulting three regression methods, but MLR regression procedure was a little better than the PCR and PLSR methods. It was concluded that the studied aniline derivatives are not hydrophilic compounds and this means these compounds hardly dissolve in water or an aqueous solvent.

scholarly journals Removal of pharmaceutical compounds from municipal wastewater by bioaugmentation with fungi: An emerging strategy using fluidized bed pelleted bioreactor

2021 ◽  
pp. 100086
Author(s):  
Brigita Dalecka ◽  
Martins Strods ◽  
Pavels Cacivkins ◽  
Elina Ziverte ◽  
Gunaratna Kuttuva Rajarao ◽  
...  
Keyword(s):  
Fluidized Bed ◽  
Municipal Wastewater ◽  
Pharmaceutical Compounds

Morphological characterization, biomass and pharmaceutical compounds in Italian globe artichoke genotypes

2013 ◽  
Vol 49 ◽  
pp. 326-333 ◽  
Author(s):  
Anna Ciancolini ◽  
Marion Alignan ◽  
Mario Augusto Pagnotta ◽  
Julie Miquel ◽  
Gérard Vilarem ◽  
...  
Keyword(s):  
Pharmaceutical Compounds ◽  
Morphological Characterization ◽  
Globe Artichoke
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