Holmes, Jacob B. et al. published their research in Proceedings of the National Academy of Sciences of the United States of America in 2022 | CAS: 54-47-7

(4-Formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate (cas: 54-47-7) belongs to pyridine derivatives. Pyridines are an important class of heterocycles and occur in polysubstituted forms in many naturally occurring biologically active compounds, drug molecules and chiral ligands. One of the examples of pyridines is the well-known alkaloid lithoprimidine, which is an A3 adenosine receptor antagonist and N,N-dimethylaminopyridine (DMAP) analog, commonly used in organic synthesis.COA of Formula: C8H10NO6P

Imaging active site chemistry and protonation states: NMR crystallography of the tryptophan synthase α-aminoacrylate intermediate was written by Holmes, Jacob B.;Liu, Viktoriia;Caulkins, Bethany G.;Hilario, Eduardo;Ghosh, Rittik K.;Drago, Victoria N.;Young, Robert P.;Romero, Jennifer A.;Gill, Adam D.;Bogie, Paul M.;Paulino, Joana;Wang, Xiaoling;Riviere, Gwladys;Bosken, Yuliana K.;Struppe, Jochem;Hassan, Alia;Guidoulianov, Jevgeni;Perrone, Barbara;Mentink-Vigier, Frederic;Chang, Chia-en A.;Long, Joanna R.;Hooley, Richard J.;Mueser, Timothy C.;Dunn, Michael F.;Mueller, Leonard J.. And the article was included in Proceedings of the National Academy of Sciences of the United States of America in 2022.COA of Formula: C8H10NO6P The following contents are mentioned in the article:

NMR-assisted crystallog.-the integrated application of solid-state NMR, x-ray crystallog., and 1st-principles computational chem.-holds significant promise for mechanistic enzymol.: by providing at.-resolution characterization of stable intermediates in enzyme active sites, including H atom locations and tautomeric equilibrium, NMR crystallog. offers insight into both structure and chem. dynamics. This integrated approach is used to characterize the tryptophan synthase α-aminoacrylate intermediate, a defining species for pyridoxal-5′-phosphate-dependent enzymes that catalyze β-elimination and replacement reactions. For this intermediate, NMR-assisted crystallog. is able to identify the protonation states of the ionizable sites on the cofactor, substrate, and catalytic side chains as well as the location and orientation of crystallog. waters within the active site. Most notable is the H2O mol. immediately adjacent to the substrate β-C, which serves as a H bond donor to the ε-amino group of the acid-base catalytic residue βLys87. From this anal., a detailed 3-dimensional picture of structure and reactivity emerges, highlighting the fate of the L-serine hydroxyl leaving group and the reaction pathway back to the preceding transition state. Reaction of the α-aminoacrylate intermediate with benzimidazole, an isostere of the natural substrate indole, shows benzimidazole bound in the active site and poised for, but unable to initiate, the subsequent bond formation step. When modeled into the benzimidazole position, indole is positioned with C3 in contact with the α-aminoacrylate Cβ and aligned for nucleophilic attack. The chem. detailed, 3-dimensional structure from NMR-assisted crystallog. is key to understanding why benzimidazole does not react, while indole does. This study involved multiple reactions and reactants, such as (4-Formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate (cas: 54-47-7COA of Formula: C8H10NO6P).

(4-Formyl-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate (cas: 54-47-7) belongs to pyridine derivatives. Pyridines are an important class of heterocycles and occur in polysubstituted forms in many naturally occurring biologically active compounds, drug molecules and chiral ligands. One of the examples of pyridines is the well-known alkaloid lithoprimidine, which is an A3 adenosine receptor antagonist and N,N-dimethylaminopyridine (DMAP) analog, commonly used in organic synthesis.COA of Formula: C8H10NO6P

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem