Related Products of 57294-38-9, Catalysts allow a reaction to proceed via a pathway that has a lower activation energy than the uncatalyzed reaction. 57294-38-9, Name is Boc-GABA-OH, SMILES is O(C(C)(C)C)C(=O)NCCCC(=O)O, belongs to Isoxazoles compound. In a article, author is Ryng, Stanislaw, introduce new discover of the category.
A complex study of 5-amino-3-methyl-4-[2-(5-amino-1,3,4-oxadiazolo)]-isoxazole monohydrate: A new low-molecular-weight immune response modifier
A new potential lead structure with immunological activity, 5-amino-3-methyl-4-[2-(5-amino-1.3,4-oxadiazolo)]-isoxazole monohydrate, was synthesized. A detailed description of synthesis is presented together with X-ray structural analysis. In vitro assays showed that the compound had a potent immunosuppressive activity. Next, Density Functional Theory (OFT) was employed to shed a light on molecular properties of the investigated isoxazole derivative. The molecular modeling part included geometric as well as electronic structure descriptions: (i) the conformational analysis was performed to localize the most appropriate conformation; (ii) the coordination energy and Basis Set Superposition Error (BSSE) were estimated for the complex of the isoxazole derivative interacting with water molecule; (iii) the potential energy distribution was used to assign molecular vibrations, and NBO population analysis served to describe the electronic structure; (iv) the electrostatic potential map was generated to provide the graphical presentation of regions exposed for intermolecular interactions. The contacts between the water molecule and the nitrogen atom of the isoxazole ring edge were present in the solid phase. On the other hand, the theoretical DFT prediction was that the oxygen atom of the edge should form a more stable complex with the water molecule. (C) 2011 Elsevier B.V. All rights reserved.
Related Products of 57294-38-9, Because enzymes can increase reaction rates by enormous factors and tend to be very specific, typically producing only a single product in quantitative yield, they are the focus of active research.you can also check out more blogs about 57294-38-9.
Reference:
Isoxazole – Wikipedia,
,Isoxazole | C3H3NO – PubChem