In 2022,Wu, Wen-Long; Wen, Ze-Yu; Qian, Jing-Jing; Zou, Jing-Pei; Liu, Shan-Ming; Yang, Shun; Qin, Tian; Yang, Qun; Liu, Yu-Han; Liu, Wei-Wei; Wang, Jing; Shi, Li-Ying; Shi, Da-Hua published an article in Journal of Molecular Structure. The title of the article was 《Design, synthesis, characterization and evaluation of 1,3,5-triazine-benzimidazole hybrids as multifunctional acetylcholinesterases inhibitors》.SDS of cas: 4857-06-1 The author mentioned the following in the article:
A series of triazine-benzimidazole hybrids I [R = NEt2, NPr2, N(Bn)Et, etc.; n = 0, 1] were designed and synthesized and evaluated as multi-target agents for the treatment of Alzheimer’s disease. Compounds I were designed, synthesized and identified by NMR, IR, HRMS and single-crystal X-ray diffraction studies. The compound I [R = N(n-Bu)2, n = 0] had the crystal system of orthorhombic and the space group of P212121. The cholinesterase inhibitory activity of synthesized compounds I was measured using colorimetric Ellman’s method. Most 1,3,5-triazine-benzimidazole hybrids I showed potent acetylcholinesterase-inhibition activities and weak butyrylcholinesterase inhibitory activities. Compound I [R = N(Cy)Me, n = 1] possessed the best acetylcholinesterase inhibitory activity with the IC50 of 0.044μM, which was better than donepezil (0.052μM). Mol. docking and mol. dynamics simulations demonstrated that there was a stable interaction between compound I [R = N(Cy)Me, n = 1] and acetylcholinesterase. Simultaneously, experiments have also proved that compound I [R = N(Cy)Me, n = 1] has good metal chelating properties. ADMET in silico prediction results suggest the compound can pass through the blood-brain barrier well and have good drug similarity. So, compound I [R = N(Cy)Me, n = 1] could be a multi-target agent for the treatment of Alzheimer’s disease.2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1SDS of cas: 4857-06-1) was used in this study.
2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1) binds to monoclonal antibodies, inhibiting their binding to their corresponding antigens. This activity may be due to its ability to bind covalently with amino groups on proteins and other molecules.SDS of cas: 4857-06-1
Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem