Chemistry is the science of change. But why do chemical reactions take place? Why do chemicals react with each other? The answer is in thermodynamics and kinetics, Formula: C12H12N4O4S, 487021-52-3, Name is AR-A014418, SMILES is O=C(NC1=NC=C([N+]([O-])=O)S1)NCC2=CC=C(OC)C=C2, belongs to indole-building-block compound. In a document, author is Kashihara, Wataru, introduce the new discover.
Hydrogen Abstraction of Ketoprofen in the Excited Triplet State with Indole and Methylindoles
Relaxation of excited states and reactivity of ketoprofen (KP), one of the most popular nonsteroidal anti-inflammatory drugs, with indole and methylindoles have been studied with transient absorption and quantum chemical calculations. KP in the excited triplet state, (KP)-K-3*, abstracted a hydrogen atom from indole and methylindoles to afford a ketyl radical and a counter radical. The bimolecular quenching rate constants of (KP)-K-3* by indole and methylindoles, k(q), and the hydrogen atom abstraction rate constants, k(r), were obtained. The k(r) values for methylindoles were larger than that for indole; in addition, transient spectra at around 350 nm, assigned to the corresponding C-centered radical, was observed. These results indicate that (KP)-K-3* abstracts a hydrogen atom of the methyl group as well as that of N-H in the indole frame. These findings give us information on the reactivity of excited KP in the vicinity of tryptophan in a KP-protein complex, which will ultimately cause photosensitization on human skin.
A reaction mechanism is the microscopic path by which reactants are transformed into products. Each step is an elementary reaction. In my other articles, you can also check out more blogs about 487021-52-3. Formula: C12H12N4O4S.
Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles