Chemical Research Letters, May 2021. Redox catalysis has been broadly utilized in electrochemical synthesis. The appropriate choice of redox mediator can avoid electrode passivation, which strongly inhibit the efficient activation of substrates. 5460-09-3, Name is Sodium 4-Amino-5-hydroxy-2,7-naphthalenedisulfonate, molecular formula is C10H8NNaO7S2. In an article, author is Arkhipov, Sergey G.,once mentioned of 5460-09-3, Computed Properties of https://www.ambeed.com/products/5460-09-3.html.
The role of S-bond in tenoxicam keto-enolic tautomerization
A non-steroidal anti-inflammatory drug, 4-hydroxy-2-methyl-N-2-pyridyl-2H-thieno.2,3-e)-1,2-thiazine-3-carboxamide 1,1-dioxide, called tenoxicam (TXM), with important implications in cancer treatment, has a peculiarity with respect to other molecules from the oxicam family. TXM is predominantly found in the zwitterionic form (ZWC) within the crystal structures of pure compounds and their solvates; however, it can be present in the beta-keto-enolic form (BKE) or beta-diketone (BDK) form. To understand this phenomenon, the combined effects of environment (solvent) and intra-molecular non-covalent interactions on the TXM keto-enol tautomerization were investigated through a combined experimental and computational study. We found that the polarity of a solvent had a minor influence on the crystallization process; this allowed to us synthesize and solve six new solvates with TXM in the ZWC form. Careful investigation of the non-covalent interactions between the sulphur atom of thiophenyl moiety and oxygen of the carbonyl group (S-bond) through a computational approach with the natural bond orbital (NBO) theory has shown that TXM crystallization is modulated by the S-bond. This study further confirms the importance of the S-bond in the drug design; however, nowadays, it is still underestimated.
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Reference:
Thiazine – an overview | ScienceDirect Topics,
,Thiazine | C4H5NS – PubChem