Pyridine has a conjugated system of six π electrons that are delocalized over the ring. 16133-25-8, formula is C5H4ClNO2S, Name is Pyridine-3-sulfonyl chloride. The molecule is planar and, thus, follows the Hückel criteria for aromatic systems. Reference of 16133-25-8.
Song, Xinning;Jiang, Zhiyang;Li, Jianing;Lu, Xingxing;Han, Qing;Zhu, Kai;Li, Huilin;Ling, Yun;Duan, Hongxia research published 《 Synthesis, antifungal activity, and molecular dynamics study of novel geranyl aromatic sulfonamide compounds as potential complex III inhibitors》, the research content is summarized as follows. Essential oils (EOs), as unique natural products, are promising resources for the discovery of green agrochems. The main ingredient geraniol of citronella oil was found to exhibit substantial antifungal activities in this study. Therefore, a series of novel geranyl aromatic sulfonamide compounds were synthesized and found to display considerable antifungal activities. Two geranyl thiofuran-sulfonamide compounds 4c-1 (median effective concentration (EC50) against Rhizoctonia solani: 24.97 mg/L and EC50 against Sclerotinia sclerotiorum: 27.26 mg/L), 4c-2 (EC50 against S. sclerotiorum: 18.53 mg/L) and one geranyl pyridine-sulfonamide compound 4d-2 (EC50 against R. solani: 29.31 mg/L and EC50 against S. sclerotiorum: 29.98 mg/L) were screened as “star mols.” due to their excellent antifungal activities. The preliminary structure-activity relationship (SAR) study revealed that the introduction of various aromatic heterocycles maybe an efficient protocol to improve the fungicidal activities of geranyl aromatic sulfonamide compounds The mol. mechanisms of the geranyl aromatic sulfonamide compounds were clarified by performing mol. docking and mol. dynamics (MD) simulations. Three “star mols.” of these geranyl aromatic sulfonamide compounds were found to bind to Complex III through several hydrogen bonds and π-interactions with crucial residues TRP17, GLY20 etc. Their binding free energies were calculated to be strong ranging from -50.60 to -39.44 kcal/mol by MM/GBSA method, which suggested the geranyl aromatic sulfonamide compounds were potential Complex III inhibitors. The main component originating from the natural plant EOs ought to be studied in the future to discover novel pathogenic fungicidal candidates.
16133-25-8, Pyridine-3-sulfonyl chloride is a useful research compound. Its molecular formula is C5H4ClNO2S and its molecular weight is 177.61 g/mol. The purity is usually 95%.
Pyridine-3-sulfonyl chloride is a reagent used in the synthesis of pyrimidine derivatives with anti-proliferative activity against negative breast cancer cells.
Pyridine-3-sulfonyl chloride is a chemical compound that binds to the active site of cytochrome P450 enzymes. It can be used to study the effects of matrix effect on reaction solution. Pyridine-3-sulfonyl chloride has been shown to have an UV absorption spectrum with a maximum at 280 nm and a p450 activity that is proportional to the concentration of human serum. This compound has been shown to inhibit kinase domain in vitro assays, which may have clinical relevance in the treatment of obesity., Reference of 16133-25-8