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Partially Saturated Bicyclic Heteroaromatics as an sp(3) -Enriched Fragment Collection.

ABSTRACT: Fragment-based lead generation has proven to be an effective means of identifying high-quality lead compounds for drug discovery programs. However, the fragment screening sets often used are principally comprised of sp(2) -rich aromatic compounds, which limits the structural (and hence biological) diversity of the library. Herein, we describe strategies for the synthesis of a series of partially saturated bicyclic heteroaromatic scaffolds with enhanced sp(3) character. Subsequent derivatization led to a fragment collection featuring regio- and stereo-controlled introduction of substituents on the saturated ring system, often with formation of new stereocenters.

SUBMITTER: Twigg DG

PROVIDER: S-EPMC5091628 | biostudies-literature | 2016 Sep

REPOSITORIES: biostudies-literature

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Partially Saturated Bicyclic Heteroaromatics as an sp(3) -Enriched Fragment Collection.

Twigg David G DG Kondo Noriyasu N Mitchell Sophie L SL Galloway Warren R J D WR Sore Hannah F HF Madin Andrew A Spring David R DR

Angewandte Chemie (International ed. in English) 20160906 40

Fragment-based lead generation has proven to be an effective means of identifying high-quality lead compounds for drug discovery programs. However, the fragment screening sets often used are principally comprised of sp(2) -rich aromatic compounds, which limits the structural (and hence biological) diversity of the library. Herein, we describe strategies for the synthesis of a series of partially saturated bicyclic heteroaromatic scaffolds with enhanced sp(3) character. Subsequent derivatization ...[more]

PMID: 27596095

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Project description:Laboratory measurements of capillary pressure (Pc) and the electrical resistivity index (RI) of reservoir rocks are used to calibrate well logging tools and to determine reservoir fluid distribution. Significant studies on the methods and factors affecting these measurements in rocks containing oil, gas, and water are adequately reported in the literature. However, with the advent of chemical enhanced oil recovery (EOR) methods, surfactants are mixed with injection fluids to generate foam to enhance the gas injection process. Foam is a complex and non-Newtonian fluid whose behavior in porous media is different from conventional reservoir fluids. As a result, the effect of foam on Pc and the reliability of using known rock models such as the Archie equation to fit experimental resistivity data in rocks containing foam are yet to be ascertained. In this study, we investigated the effect of foam on the behavior of both Pc and RI curves in sandstone and carbonate rocks using both porous plate and two-pole resistivity methods at ambient temperature. Our results consistently showed that for a given water saturation (Sw), the RI of a rock increases in the presence of foam than without foam. We found that, below a critical Sw, the resistivity of a rock containing foam continues to rise rapidly. We argue, based on knowledge of foam behavior in porous media, that this critical Sw represents the regime where the foam texture begins to become finer, and it is dependent on the properties of the rock and the foam. Nonetheless, the Archie model fits the experimental data of the rocks but with resulting saturation exponents that are higher than conventional gas-water rock systems. The degree of variation in the saturation exponents between the two fluid systems also depends on the rock and fluid properties. A theory is presented to explain this phenomenon. We also found that foam affects the saturation exponent in a similar way as oil-wet rocks in the sense that they decrease the cross-sectional area of water available in the pores for current flow. Foam appears to have competing and opposite effects caused by the presence of clay, micropores, and conducting minerals, which tend to lower the saturation exponent at low Sw. Finally, the Pc curve is consistently lower in foam than without foam for the same Sw.

Dataset Information

Partially Saturated Bicyclic Heteroaromatics as an sp(3) -Enriched Fragment Collection.

Publications

Partially Saturated Bicyclic Heteroaromatics as an sp(3) -Enriched Fragment Collection.

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