188890-67-7

Usage

Molecular weight

265.10 g/mol

Class of organic compound

Tetrazole derivative

Structure

Five-membered ring with four nitrogen atoms and one carbon atom

Additional functional groups

Bromine atom, methoxyphenylmethyl group

Usage

Synthesis of pharmaceuticals and agrochemicals

Biological activity

Anticonvulsant, anxiolytic

Potential applications

Development of new materials, intermediate in organic synthesis

Upstream product

• 160698-31-7 1-(4-methoxyphenylmethyl)tetrazole 
• 1197-58-6 1-(isocyanomethyl)-4-methoxybenzene 

Downstream Products

• 1265831-00-2 1-(4-methoxybenzyl)-5-(p-tolyl)-1H-tetrazole 
• 1265831-02-4 1-(4-methoxybenzyl)-5-(4-methoxyphenyl)-1H-tetrazole 
• 1548832-33-2 3-(1-(1-(4-methoxybenzyl)-1H-tetrazol-5-yl)hydrazinyl)-N,N-dimethylpropan-1-amine 
• 1548832-70-7 5-(1-(3-(1H-tetrazol-5-yl)propyl)hydrazinyl)-1-(4-methoxybenzyl)-1H-tetrazole 
• 1548832-67-2 4-(1-(1-(4-methoxybenzyl)-1H-tetrazol-5-yl)-2-(propan-2-ylidene)hydrazinyl)butanenitrile 
• 1548832-66-1 1-(4-methoxybenzyl)-5-(2-(propan-2-ylidene)hydrazinyl)-1H-tetrazole 
• 1548832-61-6 5-hydrazinyl-1-(4-methoxybenzyl)-1H-tetrazole 
• 1548832-87-6 1-(4-methoxybenzyl)-5-(1-methylhydrazinyl)-1H-tetrazole 

Relevant academic research and scientific papers

Design and synthesis of novel PRMT1 inhibitors and investigation of their binding preferences using molecular modelling

Protein arginine methyltransferase 1 (PRMT1) catalyses the methylation of substrate arginine by transferring the methyl group from SAM (S-adenosyl-L-methionine), which leads to the formation of S-adenosyl homocysteine (SAH) and methylated arginine. We have shown previously that the Asp84 on PRMT1 could be a potential inhibitor binding site. In the current study, 28 compounds were designed and synthesized that were predicted to bind the Asp84 and substrate arginine sites together. Among them, 6 compounds were identified as potential PRMT1 inhibitors, and showed strong inhibitory effects on cancer cell lines, especially HepG2. The most potent PRMT1 inhibitor, compound 13d, was selected for molecular dynamic simulations to investigate binding poses. Based on the free energy calculations and structural analysis, we predicted that the ethylenediamine group would tightly bind to Asp84, and the trifluoromethyl group should occupy part of substrate arginine binding site, which is consistent with our original goal. Our results show for the first time that PRMT1 inhibitors can target the Asp84 binding site, which will be helpful for future drug discovery studies.

Three-component strategy toward 5-membered heterocycles from isocyanide dibromides.

A three-component strategy starting from isocyanides allows a straightforward synthesis of five-membered ring heterocycles. New cascades were developed involving the addition of a nitrogenated nucleophile-an azide or a tetrazole-on isocyanide dibromides,

Tetrazole compounds and pharmaceutical agents containing such derivative

PCT No. PCT/JP96/03801 Sec. 371 Date Jun. 29, 1998 Sec. 102(e) Date Jun. 29, 1998 PCT Filed Dec. 26, 1996 PCT Pub. No. WO97/24339 PCT Pub. Date Oct. 7, 1997A tetrazole derivative of formula (I) wherein R is H, alkyl, alkoxy, carbocyclic ring, alkyl or alkoxy substituted by carbocyclic ring; AA1 and AA2 is a bond or and respectively, or AA1 and AA2, together, may have the formula (a); and Y is formula (b) wherein the Tet ring is tetrazole; Z is alkylene, alkenylene, O, S, SO, SO2, NR26, methylene in alkylene replaced by O, S, -SO-, -SO2- or -NR26-; and E is H, alkyl, or COOR27.