879896-39-6

Usage

Chemical class

Isocyanates

Structure

Contains a phenyl group attached to a piperazine ring

Primary use

Synthesis of pharmaceuticals and agrochemicals

Reactivity

Highly reactive

Common uses

Production of polyurethane foams, elastomers, and coatings; manufacturing of certain types of adhesives and sealants

Potential applications

Pharmaceutical industry due to the presence of the piperazine ring

Safety concerns

Strong irritant and sensitizing properties; adequate precautions should be taken when handling in laboratory or industrial settings

InChI:InChI=1/C12H15N3O/c1-14-6-8-15(9-7-14)12-4-2-11(3-5-12)13-10-16/h2-5H,6-9H2,1H3

Upstream product

• 16153-81-4 4-(4-Methyl-piperazino)-anilin 
• 32315-10-9 bis(trichloromethyl) carbonate 

Downstream Products

• 1601403-19-3 N-(4-(4-methylpiperazin-1-yl)phenyl)-3-oxobenzo[d]isothiazole-2(3H)-carboxamide 
• 1416442-18-6 N-(5'-deoxy-α-thymidin-5'-yl)-N'-(4-(4-methylpiperazinyl)phenyl)urea 
• 1416442-46-0 N-(5'-deoxy-thymidin-5'-yl)-N'-(4-(4-methylpiperazinyl)phenyl)urea 
• 1392151-77-7 1-(5-((3,5-difluorophenyl)thio)-1H-pyrazolo[3,4-b]pyridin-3-yl)-3-(4-(4-methylpiperazin-1-yl)phenyl)urea 
• 1392151-78-8 1-(1-tert-butyl-5-(3,5-difluorophenylthio)-1H-pyrazolo[3,4-b]pyridin-3-yl)-3-(4-(4-methylpiperazin-1-yl)phenyl)urea 
• 1312558-73-8 1-[4-(4-methyl-piperazin-1-yl)-phenyl]-3-(4-oxazol-5-yl-phenyl)-urea 
• 1310550-02-7 C₂₁H₂₂FN₅O 

Relevant academic research and scientific papers

1,2-Benzisothiazol-3-one derivatives as a novel class of small-molecule caspase-3 inhibitors

A novel series of 1,2-benzisothiazol-3-one derivatives was synthesized and their biological activities were evaluated for inhibiting caspase-3 and -7 activities, in which some of them showed low nanomolar potency against caspase-3 in vitro and significant protection against apoptosis in a camptothecin-induced Jurkat T cells system. Among the tested compounds, compound 5i exhibited the most potent caspase-3 inhibitory activity (IC50 = 1.15 nM). The molecular docking predicted the interactions and binding modes of the synthesized inhibitor in the caspase-3 active site.