1129-78-8Relevant academic research and scientific papers
Transition metal- And light-free radical borylation of alkyl bromides and iodides using silane
Mo, Fanyang,Sun, Beiqi,Zheng, Sihan
supporting information, p. 5674 - 5677 (2021/06/16)
We report operationally simple and neutral conditions for borylation of alkyl bromides and iodides to alkyl boronic esters under transition metal- and light-free conditions. A series of substrates with a wide range of functional groups were effectively transformed into the borylation products in moderate to good yields. Mechanistic studies, including radical clock experiments and DFT calculations, gave detailed insight into the radical borylation process.
Pyrimidine-2,4-diamines as antiplasmodial antifolates
Seanego, Tswene D.,Klein, Hanna F.,Jansen van Vuuren, Natasha C.,Van Zyl, Robyn L.,Rousseau, Amanda L.
, p. 344 - 361 (2020/10/30)
Two series of substituted pyrimidine-2,4-diamines with a flexible side chain at either the 5- or 6-position of the pyrimdine ring were designed as potential inhibitors of P. falciparum dihydrofolate reductase (DHFR). The compounds were synthesised and eva
Discovery of Carboline Derivatives as Potent Antifungal Agents for the Treatment of Cryptococcal Meningitis
Tu, Jie,Li, Zhuang,Jiang, Yanjuan,Ji, Changjin,Han, Guiyan,Wang, Yan,Liu, Na,Sheng, Chunquan
, p. 2376 - 2389 (2019/03/07)
Clinical treatment of cryptococcal meningitis (CM) remains a significant challenge because of the lack of effective and safe drug therapies. Developing novel CM therapeutic agents with novel chemical scaffolds and new modes of action is of great importanc
Preparation method of cisapride key intermediate
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Paragraph 0026; 0029; 0032; 0035; 0038; 0041; 0044; 0045, (2019/01/06)
The invention provides a preparation method of a cisapride key intermediate. The preparation method includes the steps of adopting 3-pyridine as an initial raw material, 3-methoxypyridine is synthesized through nucleophilic substitution, 4-nitryl-3-methoxypyridine is prepared through a nitration reaction, a 4-nitryl-3-methoxyl-N-(3-(4-fluorophenoxy)propyl) quaternized pyridinium is prepared through quaternization, and the cisapride key intermediate, namely (cis)-N-(3-(4-fluorophenoxy)propyl)-4-amino-3-methoxy piperidine, is prepared through catalytic hydrogenation at last. The preparation method has the advantages of being low in cost, easy to operate and the like.
Design, synthesis, docking studies and biological evaluation of novel dihydro-1,3,5-triazines as human DHFR inhibitors
Zhou, Xiaotian,Lin, Kuaile,Ma, Xiang,Chui, Wai-Keung,Zhou, Weicheng
, p. 1279 - 1288 (2016/11/29)
A novel series of dihydro-1,3,5-triazine derivatives bearing a heteroatom spiro-ring were designed and synthesized on the basis of molecular flexible docking work, and their biological activities were evaluated. Compounds A2, A5, B1 and B3 showed potent human dihydrofolate reductase (hDHFR) inhibitory activity with IC50values of 7.46 nM, 3.72 nM, 6.46 nM, 4.08 nM, versus reference drug methotrexate (MTX). From the molecular docking result we concluded that the conformation space generated by deformation of the flexible residue Phe31 is favorable for the binding of the spiro-ring, and inserting heteroatom into spiro ring might increase the binding affinity. There were 24 compounds with broadspectrum antiproliferative activity against several tumor cell lines (HCT116, A549, HL-60, HepG2 and MDA-MB-231) with IC50values ranging from 0.79 to 0.001 μM. The antitumor activity in?vivo of compound A2 was determined in a human alveolar basal epithelial cell line A549 xenograft model. This study offered novel anticancer agents with high inhibitory activity that target hDHFR and have a binding mode of the novel molecular scaffold with hDHFR. This provides potent support for further development of novel hDHFR inhibitors.
Synthesis of new compounds with promising antiviral properties against group A and B Human Rhinoviruses
Bernard, Angela M.,Cabiddu, Maria G.,De Montis, Stefania,Mura, Roberto,Pompei, Raffaello
, p. 4061 - 4066 (2014/08/18)
The human common cold, which is a benign disease caused by the Rhinoviruses, generally receives palliative symptomatic treatments, since no specific therapy against any of these viruses currently exists. In this work, some original synthetic compounds wer
Novel Carboline Derivatives as Potent Antifungal Lead Compounds: Design, Synthesis, and Biological Evaluation
Wang, Shengzheng,Wang, Yan,Liu, Wei,Liu, Na,Zhang, Yongqiang,Dong, Guoqiang,Liu, Yang,Li, Zhengang,He, Xiaomeng,Miao, Zhenyuan,Yao, Jianzhong,Li, Jian,Zhang, Wannian,Sheng, Chunquan
, p. 506 - 511 (2014/06/09)
A series of novel antifungal carboline derivatives was designed and synthesized, which showed broad-spectrum antifungal activity. Particularly, compound C38 showed comparable in vitro antifungal activity to fluconazole without toxicity to human embryonic lung cells. It also exhibited good fungicidal activity against both fluconazole-sensitive and -resistant Candida albicans cells and had potent inhibition activity against Candida albicans biofilm formation and hyphal growth. Moreover, C38 showed good synergistic antifungal activity in combination with fluconazole (FLC) against FLC-resistant Candida species. Preliminary mechanism studies revealed that C38 might act by inhibiting the synthesis of fungal cell wall.
Synthesis and biological evaluation of vinyl ether-containing azole derivatives as inhibitors of Trichophyton rubrum
Wang, Lulu,Yang, Wenge,Wang, Kai,Zhu, Jing,Shen, Fei,Hu, Yonghong
scheme or table, p. 4887 - 4890 (2012/08/07)
In an attempt to search for many target compounds with excellent activities, a series of vinyl ether-containing azole derivatives were designed, synthesized, and evaluated as antifungal agents. Results of preliminary antifungal tests against Trichophyton rubrum in vitro indicated that most of the synthesized compounds showed excellent activities. In comparison with fluconazole, itraconazole, voriconazole, omoconazole and amphotericin B, several compounds (such as 7d, 7g and 7h) exhibited more potent inhibitory activities, suggesting that they were promising leads for the development of novel antifungal agents.
Antifolate and antiproliferative activity of 6,8,10-triazaspiro[4.5]deca-6,8-dienes and 1,3,5-triazaspiro[5.5]undeca-1,3-dienes
Ma, Xiang,Chui, Wai-Keung
body text, p. 737 - 743 (2010/04/29)
Two series of triazaspiroalkanedienes, bearing a substituted phenoxy propyloxy side chain, were identified as potent mammalian DHFR inhibitors. One series has a 6,5-spiro bicyclic ring system and the other series has a 6,6-spiro bicyclic system. Both seri
Improved model of lanosterol 14α-demethylase by ligand-supported homology modeling: Validation by virtual screening and azole optimization
Sheng, Chunquan,Wang, Wenya,Che, Xiaoying,Dong, Guoqiang,Wang, Shengzheng,Ji, Haitao,Miao, Zhenyuan,Yao, Jianzhong,Zhang, Wannian
experimental part, p. 390 - 397 (2010/11/18)
Lanosterol 14α-demethylase (CYP51) is an important target for antifungal drugs. An improved three-dimensional model of CYP51 from Candida albicans (CACYP51) was constructed by ligand-supported homology modeling and molecular dynamics simulations. The accuracy of the constructed model was evaluated by its performance in a small-scale virtual screen. The results show that known CYP51 inhibitors were efficiently discriminated by the model, and it performed better than our previous CACYP51 model. The active site of CACYP51 was characterized by multiple copy simultaneous search (MCSS) calculations. On the basis of the MCSS results, a series of novel azoles were designed and synthesized, and they showed good in vitro antifungal activity with a broad spectrum. The MIC80 value of four of these compounds against C. albicans is 0.001 μgmL-1, indicating that they are promising leads for the discovery of novel antifungal agents.
