107047-10-9

Upstream product

• 586-76-5 4-Bromobenzoic acid 
• 589-15-1 1-bromomethyl-4-bromobenzene 
• 5651-83-2 3-methoxy-4-(prop-2-ynyloxy)benzaldehyde 
• 623-24-5 1,4-bis(bromomethyl)benzene 
• 3959-07-7 4-Bromobenzylamine 
• 106-38-7 para-bromotoluene 
• 108-86-1 bromobenzene 
• 1122-91-4 4-bromo-benzaldehyde 
• 629-05-0 n-octyne 
• 589-17-3 p-bromobenzyl chloride 
• 237763-11-0 methanesulfonic acid 4-bromo-benzyl ester 
• 873-75-6 4-bromobenzenemethanol 
• 20444-12-6 (4-bromophenyl)methyl 4-methylbenzenesulfonate 

Downstream Products

• 141072-03-9 di-tert-butyl 1-(4-bromobenzyl)-1H-1,2,3-triazole-4,5-dicarboxylate 
• 2076-56-4 4-bromobenzyl isothiocyanate 
• 6911-87-1 4-bromo-N-methylaniline 
• 32787-75-0 4-bromobenzaldehyde N,N-dimethylhydrazone 
• 3959-07-7 4-Bromobenzylamine 
• 1245773-29-8 (2R,3R,4R,5R)-2-(acetoxymethyl)-5-(6-(1-(4-bromobenzyl)-1H-1,2,3-triazol-4-yl)-9H-purin-9-yl)tetrahydrofuran-3,4-diyl diacetate 
• 1264251-40-2 C₃₃H₂₂Br₂F₆N₆S₂ 
• 1265172-64-2 (S)-tert-butyl 1-((2R,3S)-2-((1-(4-bromobenzyl)-1H-1,2,3-triazol-4-yl)methoxy)-4-tert-butoxy-3-((S)-3,4-di-tert-butoxy-4-oxobutylamino)-4-oxobutyl)azetidine-2-carboxylate 
• 1310693-71-0 C₂₈H₃₂BrN₃O₃ 
• 1323126-39-1 9-((1-(4-bromobenzyl)-1H-1,2,3-triazole-4-yl)methylamino)-N-(2-dimethylaminoethyl)acridine-3-carboxamide 
• 1379508-14-1 N-((1-(4-bromobenzyl)-1H-1,2,3-triazol-4-yl)methyl)pterin-7-carboxamide 
• 623-00-7 4-bromobenzenecarbonitrile 
• 1474055-24-7 1-(4-bromobenzyl)-4-(phenoxymethyl)-1H-1,2,3-triazole 

Relevant academic research and scientific papers

Magnetic nanoparticles grafted with β-cyclodextrin-polyurethane polymer as a novel nanomagnetic polymer brush catalyst for nucleophilic substitution reactions of benzyl halides in water

The polymer coated magnetic nanoparticles has gained significant attention for potential applications in biomedicine, separations, and magnetic storage. In this study, β-cyclodextrin-polyurethane polymer coated Fe 3O4 magnetic nanoparticle as a novel class of hybrid organic/inorganic molecular catalyst was successfully prepared and evaluated as solid-liquid phase-transfer catalyst and molecular host system for nucleophilic substitution reactions. The nanocomposite has demonstrated the ability to catalytic the nucleophilic substitution reaction of benzyl halides with thiocyanate, azide, cyanide and acetate anions in water. No evidence for the formation of by-products for example isothiocyanate or alcohol was observed and the products obtained in pure form without further purification. The nanomagnetic polymer brush catalyst was easily removed from solution via application of a magnetic field, allowing straightforward recovery and reuse. Results obtained from scanning electron microscopy (SEM) and vibrating sample magnetometery (VSM) show that the synthesized magnetic nanocomposite are superparamagnetic with a mean diameter of 59 nm. The grafting of β-cyclodextrin-polyurethane polymer to Fe3O4 magnetic nanoparticle is confirmed by Fourier transform infrared spectroscopy (FT-IR).

Discovery of novel anti-angiogenesis agents. Part 9: Multiplex inhibitors suppressing compensatory activations of RTKs

Aberrant angiogenesis is a hallmark of various diseases including cancers. VEGFR-2 inhibitors have been utilized as anti-angiogenic agents for several years. However, compensatory activation of various receptor tyrosine kinases (RTK) could induce the occu

Synthesis and rational design of new appended 1,2,3-triazole-uracil ensembles as promising anti-tumor agents via in silico vegfr-2 transferase inhibition

Angiogenesis inhibition is a key step towards the designing of new chemotherapeutic agents. In a view to preparing new molecular entities for cancer treatment, eighteen 1,2,3-triazole-uracil ensembles 5a–r were designed and synthesized via the click reaction. The ligands were well characterized using1 H-,13 C-NMR, elemental analysis and ESI-mass spectrometry. The in silico binding propinquities of the ligands were studied sequentially in the active region of VEGFR-2 using the Molegro virtual docker. All the compounds produced remarkable interactions and potentially inhibitory ligands against VEGFR-2 were obtained with high negative binding energies. Drug-likeness was assessed from the ADME properties. Cytotoxicity of the test compounds was measured against HeLa and HUH-7 tumor cells and NIH/3T3 normal cells by MTT assay. Compound 5h showed higher growth inhibition activity than the positive control, 5-fluorouracil (5-FU), against both HeLa and HUH-7 cells with IC50 values of 4.5 and 7.7 μM respectively. Interestingly, the compounds 5a–r did not show any cytotoxicity towards the normal cell lines. The results advance the position of substituted triazoles in the area of drug design with no ambiguity.

Design, synthesis, and antimycobacterial activity of novel ciprofloxacin derivatives

Tuberculosis is the deadliest infectious disease affecting humankind with a death toll of approximately 1.7 million people in 2016. The increasing prevalence of multidrug-resistant strains of the causative pathogen, Mycobacterium tuberculosis (Mtb) which

Exploring the potential intracellular targets of vascular normalization based on active candidates

We previously developed two candidates with potency of inducing vascular normalization, BD7 and B14. However, the definite intracellular molecular target(s) responsible for their activity remains unknown. Herein, we report the discovery and functional assessment of several multifunctional photoaffinity probes for determining the potential biological targets of active compounds. The probes bear a photoaffinity moiety and a bioorthogonal unit attached to B7 or B14 and maintained the bioactivity of the parent active molecules. Using in vitro biological assays, we preliminarily identified VEGFR-2 as a potential intracellular target for the active candidates. Our results demonstrate the utility of these multifunctional photoaffinity probes for analyzing the biological activity and subcellular localization of the intracellular target proteins of active candidates.

Synthesis and antifungal activity of the novel triazole derivatives containing 1,2,3-triazole fragment

A series of fluconazole analogues containing 1,2,3-triazole fragment have been designed and synthesized on the basis of the active site of the cytochrome P450 14α-demethylase (CYP51). Their structures were characterized by 1H NMR, 13C NMR and LC-MS. The MIC80 values indicate that the target compounds 1a-r showed higher activities against nearly all the fungi tested to some extent except against Aspergillus fumigatus. Compounds 1c, e, f, l and p showed 128 times higher activity (with the MIC 80 value of 0.0039 mg/mL) than that of fluconazole against Candida albicans and also showed higher activity than that of the other positive controls.

Synthesis of novel 1,2,3-triazole derivatives of 2,3-dihydroquinazolin-4(1H)-one

Abstract: This work reports an efficient route for the synthesis of novel 1,2,3-triazole derivatives of 2,3-dihydroquinazolin-4(1H)-one starting from isatoic anhydride via a three-step reaction. The resulting 2-amino-N-substituted benzamides from the reaction of isatoic anhydride and benzylamines underwent coupling cyclization reaction with 4-(prop-2-yn-1-yloxy)benzaldehyde, and then click reaction with in situ prepared organic azides afforded the title compounds in good yields. Graphical abstract: [Figure not available: see fulltext.]

Crown ether functionalized magnetic hydroxyapatite as eco-friendly microvessel inorganic-organic hybrid nanocatalyst in nucleophilic substitution reactions: an approach to benzyl thiocyanate, cyanide, azide and acetate derivatives

In this paper, high catalytic activity of 4′,4″-diformyl dibenzo-18-crown-6 anchored onto the functionalized magnetite hydroxyapatite (γ-Fe2O3@HAp–Crown) as a new, versatile and magnetically recoverable catalyst, was prepared. It evaluated as phase-transfer catalyst and molecular host system for nucleophilic substitution reactions of benzyl halides with thiocyanate, cyanide, azide and acetate anions in water. No evidence for the formation of by-products was observed and the products obtained in pure form without further purification. The nanocomposite was easily removed from solution via application of a magnetic field, allowing straightforward recovery and reuse. The synthesized nanocomposite was characterized by several techniques such as FT-IR, TGA-DTG, EDX, XRD, BET, FE-SEM, TEM and VSM.

New 1,2,3-triazole–(thio)barbituric acid hybrids as urease inhibitors: Design, synthesis, in vitro urease inhibition, docking study, and molecular dynamic simulation

A new series of 1,2,3-triazole–(thio)barbituric acid hybrids 8a–n was designed and synthesized on the basis of potent pharmacophores with urease inhibitory activity. Therefore, these compounds were evaluated against Helicobacter pylori urease. The obtained result demonstrated that all the synthesized compounds, 8a–n, were more potent than the standard urease inhibitor, hydroxyurea. Moreover, among them, compounds 8a, 8c–e, 8g,h, and 8k,l exhibited higher urease inhibitory activities than the other standard inhibitor used: thiourea. Docking studies were performed with the synthesized compounds. Furthermore, molecular dynamic simulation of the most potent compounds, 8e and 8l, showed that these compounds interacted with the conserved residues Cys592 and His593, which belong to the active site flap and are essential for enzymatic activity. These interactions have two consequences: (a) blocking the movement of a flap at the entrance of the active site channel and (b) stabilizing the closed active site flap conformation, which significantly reduces the catalytic activity of urease. Calculation of the physicochemical and topological properties of the synthesized compounds 8a–n predicted that all these compounds can be orally active. The ADME prediction of compounds 8a–n was also performed.

Application of β-cyclodextrin-polyurethane as a stationary microvessel and solid-liquid phase-transfer catalyst: Preparation of benzyl cyanides and azides in water

Application of water tolerant heterogeneous catalyst, β-cyclodextrin- polyurethane (β-CDPU) polymer, as an efficient microvessel and polymeric host system for nucleophilic substitution reaction of benzyl halides with cyanide and azide anions in water has been described. The reactions gave only pure products, which did not require any further purification. The most important features of this method are high yields, clean reactions and that the catalyst can be recovered and recycled.