61390-67-8

Upstream product

• 1083-56-3 1,4-diphenylbutane 
• 50-00-0 formaldehyd 
• 110-88-3 1,3,5-Trioxan 
• 886-65-7 trans,trans-1,4-Diphenyl-1,3-butadiene 

Downstream Products

• 7277-84-1 <2.4>Paracyclophan 
• 7568-23-2 1,4-di-p-tolylbutane 
• 89604-00-2 C₃₀H₃₂N₄O₂⁽²⁺⁾*2Br^(1-) 
• 203246-33-7 (4-{4-[4-(Dimethoxy-phosphorylmethyl)-phenyl]-butyl}-benzyl)-phosphonic acid dimethyl ester 
• 203192-01-2 1,1'-[4,4'-(butane-1,4-diyl)bis(1,4-phenylene)]bis(methylene)bis(4-(dimethylamino)pyridinium) dibromide 
• 1365672-04-3 1-(4-{4-[4-(bromomethyl)phenyl]butyl}benzyl)-4-(dimethylamino)pyridinium bromide 
• 1365671-64-2 1-[4-(4-{4-[(6-amino-9H-purin-9-yl)methyl]phenyl}butyl)benzyl]-4-(dimethylamino)pyridinium bromide 
• 1365671-79-9 1-[4-(4-{4-[(6-amino-3H-purin-3-yl)methyl]phenyl}butyl)benzyl]-4-(dimethylamino)pyridinium bromide 
• 1365671-67-5 1-[4-(4-{4-[(6-amino-9H-purin-9-yl)methyl]phenyl}butyl)benzyl]-4-pyrrolidinopyridinium bromide 
• 1365671-82-4 1-[4-(4-{4-[(6-amino-3H-purin-3-yl)methyl]phenyl}butyl)benzyl]-4-pyrrolidinopyridinium bromide 
• 1365672-08-7 1-(4-{4-[4-(bromomethyl)phenyl]butyl}benzyl)-4-pyrrolidinopyridinium bromide 

Relevant academic research and scientific papers

DIAGNOSING AND TREATING CANCER

The invention relates to compositions and methods for diagnosing as well as treating cancer diseases associated with choline kinase (ChoK). Specifically, the invention relates to a composition comprising an intrinsically fluorescent choline kinase (ChoK)

Design, synthesis, theoretical calculations and biological evaluation of new non-symmetrical choline kinase inhibitors

Inhibition of Choline Kinase (ChoK) has been reported as a therapeutical target in the treatment of some kinds of tumor. In this paper, the design and synthesis of new non-symmetrical monocationic ChoK inhibitors is described, bearing a cationic head and an adenine moiety connected by linkers of different lengths. Docking studies indicate that the cationic head of these compounds could be inserted into the choline binding site of the enzyme, while the adenine moiety could be stabilized into the ATP binding site. Docking studies also support the difference of activity of the synthesized compounds, which depends on both the substituent at position 4 of the cationic head and the linker length, being dimethylamine and 1,4-diphenylbutane respectively, the most appropriate ones. Compounds 14 (IC50 = 10.70 ± 0.40 μM) and 17 (IC50 = 6.21 ± 0.97 μM) are the most potent ChoK inhibitors and suitable for further modification with a view to obtain more potent antitumor compounds.

Homodimeric bis-quaternary heterocyclic ammonium salts as potent acetyl- and butyrylcholinesterase inhibitors: A systematic investigation of the influence of linker and cationic heads over affinity and selectivity

A molecular library of quaternary ammonium salts (QASs), mainly composed of symmetrical bis-quaternary heterocyclic bromides exhibiting choline kinase (ChoK) inhibitory activity, were evaluated for their ability to inhibit acetyl- and butyrylcholinesterase (AChE and BChE, respectively). The molecular framework of QASs consisted of two positively charged heteroaromatic (pyridinium or quinolinium) or sterically hindered aliphatic (quinuclidinium) nitrogen rings kept at an appropriate distance by lipophilic rigid or semirigid linkers. Many homodimeric QASs showed AChE and BChE inhibitory potency in the nanomolar range along with a low enzymatic selectivity. Computational studies on AChE, BChE, and ChoK allowed identification of the key molecular determinants for high affinity and selectivity over either one of the three enzymes and guided the design of a hybrid bis-QAS (56) exhibiting the highest AChE affinity (IC50 = 15 nM) and selectivity over BChE and ChoK (SI = 50 and 562, respectively) and a promising pharmacological potential in myasthenia gravis and neuromuscular blockade.