73217-34-2

Usage

Chemical structure

A heterocyclic compound containing an oxadiazole ring, a chlorine-methyl group, and a methylphenyl group attached to the oxadiazole ring.

Molecular weight

Approximately 216.62 g/mol

Functional groups

Oxadiazole ring, chlorine-methyl group, and methylphenyl group.

Pharmaceuticals

Due to its unique structure and potential biological activities.

Agrochemicals

For similar reasons as in pharmaceuticals.

Materials science

Possible utility in the development of new materials.

Organic synthesis

As a building block or intermediate in the synthesis of other compounds.

Research status

Further research is needed to fully understand its properties and potential uses.

Reactivity

The presence of the chlorine-methyl group may make the compound reactive towards nucleophiles, leading to the formation of various derivatives.

Stability

The compound's stability may depend on factors such as temperature, solvent, and the presence of other reactive species.

Solubility

The compound's solubility profile is not provided, but it may be influenced by the polarity of the oxadiazole ring and the chlorine-methyl group.

Safety and handling

As with any chemical, appropriate safety measures should be taken when handling 1,2,4-Oxadiazole, 3-(chloromethyl)-5-(2-methylphenyl)-, including the use of personal protective equipment and proper disposal methods.

Upstream product

• 933-88-0 ortho-toluoyl chloride 
• 3272-96-6 2-chloro-N-hydroxyethanimidamide 
• 844498-82-4 C₁₀H₁₁ClN₂O₂ 

Downstream Products

• 73217-46-6 1-(5-o-tolyl-[1,2,4]oxadiazol-3-ylmethyl)-pyridinium; chloride 
• 73217-56-8 N,N-dimethyl-N'-(5-o-tolyl-[1,2,4]oxadiazol-3-ylmethylene)-benzene-1,4-diamine N'-oxide 

Relevant academic research and scientific papers

Novel N-Substituted oseltamivir derivatives as potent influenza neuraminidase inhibitors: Design, synthesis, biological evaluation, ADME prediction and molecular docking studies

The discovery of novel potent neuraminidase (NA) inhibitors remains an attractive approach for treating infectious diseases caused by influenza. In this study, we describe the design and synthesis of novel N-substituted oseltamivir derivatives for probing the 150-cavity which is nascent to the activity site of NA. NA inhibitory studies showed that new derivatives demonstrated the inhibitory activity with IC50 values at nM level against NA of a clinical influenza virus strain. Moreover, the in silico ADME predictions showed that the selected compounds had comparable properties with oseltamivir carboxylate, which demonstrated the druggablity of these derivatives. Furthermore, molecular docking studies showed that the most potent compound 6f and 10i could adopt different modes of binding interaction with NA, which may provide novel solutions for treating oseltamivir-resistant influenza. Based on the research results, we consider that compounds 6f and 10i have the potential for further studies as novel antiviral agents.

The discovery of a selective, high affinity A2B adenosine receptor antagonist for the potential treatment of asthma

Adenosine has been suggested to play a role in asthma, possibly via activation of A2B adenosine receptors on mast cells and other pulmonary cells. We describe our initial efforts to discover a xanthine based selective A2B AdoR antagonist that resulted in the discovery of CVT-5440, a high affinity A2B AdoR antagonist with good selectivity (A2B AdoR Ki = 50 nM, selectivity A1 > 200: A2A > 200: A3 > 167).