Dehydrobromination, Grignard reactions, reductive coupling, Wittig reaction, and several nucleophilic substitution reactions are some of the principal reactions which involve organic bromides. 402-49-3, formula is C8H6BrF3, Name is 1-(Bromomethyl)-4-(trifluoromethyl)benzene. Organic compounds having carbon bonded to bromine are called organic bromides. Synthetic Route of 402-49-3.
Tezcan, Burcu;Gok, Yetkin;Sevincek, Resul;Taslimi, Parham;Taskin-Tok, Tugba;Aktas, Aydin;Guezel, Bilgehan;Ayguen, Muhittin;Guelcin, Ilhami research published 《 Benzimidazolium salts bearing the trifluoromethyl group as organofluorine compounds: Synthesis, characterization, crystal structure, in silico study, and inhibitory profiles against acetylcholinesterase and α-glycosidase》, the research content is summarized as follows. Here, we report the synthesis, characterization, and biol. activities of a series of benzimidazolium salts bearing the trifluoromethylbenzyl group. All benzimidazolium salts were characterized by using NMR (NMR) (1H NMR and 13C NMR), Fourier transform-IR spectroscopy, and elemental anal. techniques. The crystal structures of some of these compounds were obtained by the single-crystal X-ray diffraction method. Furthermore, the acetylcholinesterase (AChE) and α-glycosidase (α-Gly) enzyme inhibition activities of these compounds were investigated. The obtained results revealed that 2e, with Ki value of 1.36 ± 0.34 μM against AChE and 3d with Ki value of 91.37 ± 10.38 μM against α-Gly, were the most potent compounds against both assigned enzymes. It should be noted that most of the synthesized compounds were more potent than standard inhibitor tacrine (TAC) against AChE. In silico studies, we focused on compound 2e, 3d, 3e, and 3f as potent inhibitors of AChE and α-Gly, the compound 2e showed good binding energy (-10.23 kcal/mol), among the three selected compounds and pos. control (-10.18, -10.08, and -7.37 kcal/mol for 3d, 3f, and TAC, resp.). Likewise, as a result of the same compounds against the α-Gly enzyme, the compound 3d had the highest binding affinity (-8.39 kcal/mol) between the four selected compounds and the pos. control (-8.27, -8.10, -8.06, and -7.53 kcal/mol for 3f, 3e, 2e, and acarbose, resp.). From the absorption, distribution, metabolism, excretion, and toxicity analyses, it can be concluded that the compounds under consideration exhibited more drug-likeness properties in the prediction studies compared to pos. controls.
Synthetic Route of 402-49-3, 4-Trifluoromethylbenzyl bromide is a useful research compound. Its molecular formula is C8H6BrF3 and its molecular weight is 239.03 g/mol. The purity is usually 95%.
4-Trifluoromethylbenzyl bromide is a choline derivative that acts as an anticancer agent. It is structurally similar to the anticancer drug doxorubicin, which has been shown to be effective against breast cancer and leukemia. 4-Trifluoromethylbenzyl bromide interacts with cellular proteins, including choline kinase, and inhibits the mitochondrial pathway. This leads to cell death through apoptosis. The molecule also interacts with nucleotide bases such as thymine and cytosine in DNA, inhibiting transcription and replication. 4-Trifluoromethylbenzyl bromide binds strongly to the hydroxyl group of cholesterol by an electrophilic substitution mechanism to form a covalent bond with its hydroxy group. The molecule can also bind to chloride ions by an ionic bond., 402-49-3.
Referemce:
Bromide – Wikipedia,
bromide – Wiktionary