Can You Really Do Chemisty Experiments About 58481-14-4

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Reference of 58481-14-4, Enzymes are biological catalysts that produce large increases in reaction rates and tend to be specific for certain reactants and products. 58481-14-4, Name is Ethyl 2-cyanoisonicotinate, SMILES is O=C(OCC)C1=CC=NC(C#N)=C1, belongs to pyridine-derivatives compound. In a article, author is Wang, Mengwei, introduce new discover of the category.

Similar but Not the Same: Difference in the Ability to Form Cocrystals between Nimesulide and the Pyridine Analogues

There have been many studies on the preparation of cocrystals based on the synthon structures, but the synthons cannot completely guarantee the formation of cocrystals. On the basis of the widespread presence of the amino-pyridine synthon, we selected nimesulide (NMS) as the host component and a series of pyridine analogues (pyrazine (PYE), 4,4′-bipyridine (BP), trans-1,2-bis(4-pyridyl)ethylene (BPE), 1,2-bis(4-pyridyl)ethyne (BPY), 1,2-bis(4-pyridyl)ethane (BPA), and 1,3-bis(4-pyridyl)propane (BPP)) as coformers and thoroughly explored the difference in the ability of cocrystal formation. We successfully obtained four new cocrystals of NMS-BP/BPE/BPA/BPY, while cocrystals of NMS and PYE/BPP were not identified. By means of structural analysis and theoretical computation, we believe that PYE, with the weakest H-bond acceptor capacity and insufficient benzene ring, has difficulty in constructing a three-dimensional structure with NMS through effective NH center dot center dot center dot N H-bonds and pi-pi stacking. Molecular flexibility could be a great resistance to form a cocrystal between BPP and NMS. Through quantitative calculation of Ridge and Lasso regression, it is found that the molecular electrostatic potential (MESP), h_ema (sum of hydrogen bond acceptor strengths), Kier flex (molecular flexibility), and the horizontal distance of two N atom projections of coformers have a descending effect on the cocrystal formation.

Reference of 58481-14-4, One of the oldest and most widely used commercial enzyme inhibitors is aspirin, which selectively inhibits one of the enzymes involved in the synthesis of molecules that trigger inflammation. you can also check out more blogs about 58481-14-4.

Reference:
Pyridine – Wikipedia,
,Pyridine | C5H5N – PubChem