Parallel and Perpendicular Packing in Mixed-Stack Cocrystals of Trimeric Perfluoro-<i>ortho</i>-phenylene Mercury and Benzo[1,2‑<i>b</i>:6,5‑<i>b</i>′]­dithiophene-4,5-dione Derivatives

Seven cocrystals derived from 2,7-substituted benzo­[1,2-<i>b</i>:6,5-<i>b</i>′]­dithiophene-4,5-diones (BDDO) and trimeric perfluoro-<i>o</i>-phenylene mercury (TPPM) exhibit two prominent packing motifs: parallel mixed stacks and T-shaped columnar structures. The varied packing patterns reveal an interplay of noncovalent intermolecular interactions that depend on the nature of the BDDO 2,7-substituents and on the crystallization conditions. Quantum-chemical analyses show little charge-transfer character in the mixed-stack structures, suggesting limited electronic interaction among the mixed TPPM and BDDO constituents. The variations in molecular packing with rather minimal change in chemical structure expose the ability to fine-tune the structure of these molecular cocrystals

Structural Diversity in the Complexes of Trimeric Perfluoro‑<i>o</i>‑phenylene Mercury with Tetrathia- and Tetramethyltetraselenafulvalene

Five potential charge transfer complexes of trimeric perfluoro-<i>o</i>-phenylene mercury (<b>I</b>) with tetrathiafulvalene (TTF) and tetramethyltetraselenefulvalene (TMTSF) were grown from different solvent mixtures. The adducts (<b>I</b>)₂·TTF (<b>1</b>) and <b>I</b>·TTF (<b>2</b>) were grown by slow evaporation from the 1:1 mixture of dichloromethane (CH₂Cl₂, DCM) and carbon disulfide (CS₂). Use of the different 1:1 solvent mixtures of dichloromethane (CH₂Cl₂, DCM) and dichloroethane (C₂H₄Cl₂, DCE) has led to the crystalline adducts <b>I</b>·TTF (<b>3</b>) and <b>I</b>·TTF·DCE (<b>4</b>). Adduct <b>I</b>.TMTSF (<b>5</b>) was grown by the interface crystallization on the border of two immiscible layers, ethyl acetate, and carbon disulfide. The cocrystals differ by the donor–acceptor ratio, molecular packing, and the solvent inclusion. The components in <b>1</b>–<b>5</b> form mixed donor–acceptor stacks. The stacks are stabilized by Hg···S and Hg···C short contacts, while the lateral interactions between stacks include F···F, CH···F, and S/Se···F short contacts

Structural Diversity in the Complexes of Trimeric Perfluoro‑<i>o</i>‑phenylene Mercury with Tetrathia- and Tetramethyltetraselenafulvalene

Five potential charge transfer complexes of trimeric perfluoro-<i>o</i>-phenylene mercury (<b>I</b>) with tetrathiafulvalene (TTF) and tetramethyltetraselenefulvalene (TMTSF) were grown from different solvent mixtures. The adducts (<b>I</b>)₂·TTF (<b>1</b>) and <b>I</b>·TTF (<b>2</b>) were grown by slow evaporation from the 1:1 mixture of dichloromethane (CH₂Cl₂, DCM) and carbon disulfide (CS₂). Use of the different 1:1 solvent mixtures of dichloromethane (CH₂Cl₂, DCM) and dichloroethane (C₂H₄Cl₂, DCE) has led to the crystalline adducts <b>I</b>·TTF (<b>3</b>) and <b>I</b>·TTF·DCE (<b>4</b>). Adduct <b>I</b>.TMTSF (<b>5</b>) was grown by the interface crystallization on the border of two immiscible layers, ethyl acetate, and carbon disulfide. The cocrystals differ by the donor–acceptor ratio, molecular packing, and the solvent inclusion. The components in <b>1</b>–<b>5</b> form mixed donor–acceptor stacks. The stacks are stabilized by Hg···S and Hg···C short contacts, while the lateral interactions between stacks include F···F, CH···F, and S/Se···F short contacts

Löner för anställda inom samfärdsel 1991, 1a kvartalet : Biltrafiken

Suomen virallinen tilasto (SVT

A Developability-Focused Optimization Approach Allows Identification of in Vivo Fast-Acting Antimalarials: <i>N</i>‑[3-[(Benzimidazol-2-yl)amino]propyl]amides

Malaria continues to be a major global health problem, being particularly devastating in the African population under the age of five. Artemisinin-based combination therapies (ACTs) are the first-line treatment recommended by the WHO to treat Plasmodium falciparum malaria, but clinical resistance against them has already been reported. As a consequence, novel chemotypes are urgently needed. Herein we report a novel, in vivo active, fast-acting antimalarial chemotype based on a benzimidazole core. This discovery is the result of a medicinal chemistry plan focused on improving the developability profile of an antichlamydial chemical class previously reported by our group

Carbamoyl Triazoles, Known Serine Protease Inhibitors, Are a Potent New Class of Antimalarials

Screening of the GSK corporate collection, some 1.9 million compounds, against Plasmodium falciparum (<i>Pf</i>), revealed almost 14000 active hits that are now known as the Tres Cantos Antimalarial Set (TCAMS). Followup work by Calderon et al. clustered and computationally filtered the TCAMS through a variety of criteria and reported 47 series containing a total of 522 compounds. From this enhanced set, we identified the carbamoyl triazole TCMDC-134379 (<b>1</b>), a known serine protease inhibitor, as an excellent starting point for SAR profiling. Lead optimization of <b>1</b> led to several molecules with improved antimalarial potency, metabolic stabilities in mouse and human liver microsomes, along with acceptable cytotoxicity profiles. Analogue <b>44</b> displayed potent in vitro activity (IC₅₀ = 10 nM) and oral activity in a SCID mouse model of <i>Pf</i> infection with an ED₅₀ of 100 and ED₉₀ of between 100 and 150 mg kg⁻¹, respectively. The results presented encourage further investigations to identify the target of these highly active compounds