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# Organic Synthesis#

Decorated Cyclopentadienes from Acetylene and Ketones in Just Two Steps

Org. Lett., Article ASAP

DOI: 10.1021/acs.orglett.7b01254

Publication Date (Web): May 26, 2017

Elena Yu. Schmidt, Ivan A. Bidusenko, Igor’ A. Ushakov, Alexander V. Vashchenko, and Boris A. Trofimov

Abstract :The products of the one-pot assembly of acetylene and ketones in the KOH/DMSO system, 7-methylene-6,8-dioxabicyclo[3.2.1]octanes, undergo an acid-catalyzed (CF3COOH, room temperature) rearrangement to rarely substituted cyclopentadienes in good-to-excellent yields. The mechanism of the rearrangement has been supported by the isolation and corresponding transformations of two intermediates.

Link to CBG：

http://www.chembeango.com/news/art?id=2498

Link to the paper：

http://pubs.acs.org/doi/abs/10.1021/acs.orglett.7b01254

# Medicinal Chemistry#

Structure Activity Relationship for Small Molecule Inhibitors of Nicotinamide N-Methyltransferase

J. Med. Chem., Just Accepted Manuscript

Publication Date (Web): May 26, 2017

DOI:10.1021/acs.jmedchem.7b00389

Harshini Neelakantan, Hua-Yu Wang, Virginia Vance, Jonathan D Hommel, Stanton F McHardy, and Stanley J. Watowich

Abstract :Nicotinamide N-methyltransferase (NNMT) is a fundamental cytosolic biotransforming enzyme that catalyzes the N-methylation of endogenous and exogenous xenobiotics. We have identified small molecule inhibitors of NNMT with >1000-fold range of activity and developed comprehensive structure-activity relationships (SARs) for NNMT inhibitors. Screening of N-methylated quinolinium, isoquinolinium, pyrididium, and benzimidazolium/benzothiazolium analogs resulted in the identification of quinoliniums as a promising scaffold with very low micromolar (IC50 ~1 μM) NNMT inhibition. Computer-based docking of inhibitors to the NNMT substrate (nicotinamide)-binding site produced a robust correlation between ligand-enzyme interaction docking scores and experimentally calculated IC50 values. Predicted binding orientation of the quinolinium analogs revealed selective binding to the NNMT substrate-binding site residues and essential chemical features driving protein-ligand intermolecular interactions and NNMT inhibition. The development of this new series of small molecule NNMT inhibitors direct the future design of lead drug-like inhibitors to treat several metabolic and chronic disease conditions characterized by abnormal NNMT activity.

Link to CBG：

http://www.chembeango.com/news/art?id=2493

Link to the paper：

http://pubs.acs.org/doi/abs/10.1021/acs.jmedchem.7b00389

# Materials #

Highly Active Catalyst for CO2 Methanation Derived from a Metal Organic Framework Template

J. Mater. Chem. A, 2017, Accepted Manuscript

First Published online: 26 May 2017
DOI: 10.1039/C7TA00958E, Paper

Renata Lippi, Shaun C Howard, Hector Barron, Christopher D. Easton, Ian Madsen, Lynne J. Waddington, Christian Vogt, Matthew R Hill, Christopher J Sumby, Christian J Doonan and Danielle F Kennedy

Abstract : The conversion of CO2 into chemicals of commercial interest is a rapidly expanding area of research. Here, we present a highly active and stable CO2 methanation catalyst that is derived from a Ru-impregnated zirconium-based metal-organic framework (MOF) material. The Ru-doped MOF is transformed, under reaction conditions, into an active catalyst which yields CO2 conversions of 96% and a CH4 selectivity of 99%. We demonstrate that the final catalyst was composed of a mixture of Ru-nanoparticles supported on monoclinic and tetragonal ZrO2 nanoparticles. Notably, such catalytic activity has only been achieved using the MOF templating strategy. Catalysts of the same composition were synthesized via different methods but were less active for CO2 methanation.

Link to CBG：

http://www.chembeango.com/news/art?id=2523

Link to the paper：

http://pubs.rsc.org/en/content/articlelanding/2017/ta/c7ta00958e#!divAbstract

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