On April 8, 2004, Yadav, Vikas; Chu, Chung K.; Rais, Reem H.; Al Safarjalani, Omar N.; Guarcello, Vincenzo; Naguib, Fardos N. M.; El Kouni, Mahmoud H. published an article.SDS of cas: 72364-46-6 The title of the article was Synthesis, Biological Activity and Molecular Modeling of 6-Benzylthioinosine Analogs as Subversive Substrates of Toxoplasma gondii Adenosine Kinase. And the article contained the following:
Toxoplasma gondii is the most common cause of secondary CNS infections in immuno-compromised persons such as AIDS patients. The major route of adenosine metabolism in T. gondii is direct phosphorylation to AMP (AMP) catalyzed by the enzyme adenosine kinase (EC 2.7.1.20). Adenosine kinase in T. gondii is significantly more active than any other purine salvage enzyme in this parasite and has been established as a potential chemotherapeutic target for the treatment of toxoplasmosis. Subversive substrates of T. gondii, but not the human, adenosine kinase are preferentially metabolized to their mono-phosphorylated forms and become selectively toxic to the parasites but not their host. 6-Benzylthioinosine (BTI) was identified as an excellent subversive substrate of T. gondii adenosine kinase. Herein, we report the synthesis of new analogs of BTI, e.g. I, as subversive substrates for T. gondii adenosine kinase. These new subversive substrates were synthesized starting from tri-benzoyl protected D-ribose. To accomplish the lead optimization process, a divergent and focused combinatorial library was synthesized using a polymer-supported trityl group at the 5′-position. The combinatorial library of 20 compounds gave several compounds more active than BTI. Structure-activity relationship studies showed that substitution at the para-position plays a crucial role. To investigate the reasons for this discrimination, substrates with different substituents at the para position were studied by mol. modeling using Monte Carlo Conformational Search followed by energy minimization of the enzyme-ligand complex. The experimental process involved the reaction of (2-Fluorophenyl)methanethiol(cas: 72364-46-6).SDS of cas: 72364-46-6
The Article related to combinatorial library benzylthioinosine substrate adenosine kinase synthesis parasiticide human, structure activity benzylthioinosine substrate adenosine kinase synthesis conformation, mol modeling benzylthioinosine nucleoside synthesis adenosine kinase substrate and other aspects.SDS of cas: 72364-46-6
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