54187-96-1Relevant articles and documents
All-in-One: Achieving Robust, Strongly Luminescent and Highly Dispersible Hybrid Materials by Combining Ionic and Coordinate Bonds in Molecular Crystals
Liu, Wei,Zhu, Kun,Teat, Simon J.,Dey, Gangotri,Shen, Zeqing,Wang, Lu,O'Carroll, Deirdre M.,Li, Jing
, p. 9281 - 9290 (2017)
Extensive research has been pursued to develop low-cost and high-performance functional inorganic-organic hybrid materials for clean/renewable energy related applications. While great progress has been made in the recent years, some key challenges remain
Synthesis, optimization, antifungal activity, selectivity, and cyp51 binding of new 2-aryl-3-azolyl-1-indolyl-propan-2-ols
Lebouvier, Nicolas,Pagniez, Fabrice,Na, Young Min,Shi, Da,Pinson, Patricia,Marchivie, Mathieu,Guillon, Jean,Hakki, Tarek,Bernhardt, Rita,Yee, Sook Wah,Simons, Claire,Lézé, Marie-Pierre,Hartmann, Rolf W.,Mularoni, Angélique,Le Baut, Guillaume,Krimm, Isabelle,Abagyan, Ruben,Pape, Patrice Le,Borgne, Marc Le
, p. 1 - 32 (2020/08/17)
A series of 2-aryl-3-azolyl-1-indolyl-propan-2-ols was designed as new analogs of fluconazole (FLC) by replacing one of its two triazole moieties by an indole scaffold. Two different chemical approaches were then developed. The first one, in seven steps, involved the synthesis of the key intermediate 1-(1H-benzotriazol-1-yl)methyl-1H-indole and the final opening of oxiranes by imidazole or 1H-1,2,4-triazole. The second route allowed access to the target compounds in only three steps, this time with the ring opening by indole and analogs. Twenty azole derivatives were tested against Candida albicans and other Candida species. The enantiomers of the best anti-Candida compound, 2-(2,4-dichlorophenyl)-3-(1H-indol-1-yl)-1-(1H-1,2,4-triazol-1-yl)-propan-2-ol (8g), were analyzed by X-ray diffraction to determine their absolute configuration. The (?)-8g enantiomer (Minimum inhibitory concentration (MIC) = IC80 = 0.000256 μg/mL on C. albicans CA98001) was found with the S-absolute configuration. In contrast the (+)-8g enantiomer was found with the R-absolute configuration (MIC = 0.023 μg/mL on C. albicans CA98001). By comparison, the MIC value for FLC was determined as 0.020 μg/mL for the same clinical isolate. Additionally, molecular docking calculations and molecular dynamics simulations were carried out using a crystal structure of Candida albicans lanosterol 14α-demethylase (CaCYP51). The (?)-(S)-8g enantiomer aligned with the positioning of posaconazole within both the heme and access channel binding sites, which was consistent with its biological results. All target compounds have been also studied against human fetal lung fibroblast (MRC-5) cells. Finally, the selectivity of four compounds on a panel of human P450-dependent enzymes (CYP19, CYP17, CYP26A1, CYP11B1, and CYP11B2) was investigated.
A 1-(benzotriazole-1-methyl)-1-(2,4-dimethyl imidazole) zinc complex and a preparation method thereof
-
Paragraph 0032-0035, (2018/12/01)
A 1-(benzotriazole-1-methyl)-1-(2,4-dimethyl imidazole) zinc complex, and a preparation method and application thereof are disclosed. The molecular formula of the complex is [Zn(CHN5)Cl2],wherein CHN5 is a ligand that is 1-(benzotriazole-1-methyl)-1-(2,4-dimethyl imidazole). The 1-(benzotriazole-1-methyl)-1-(2,4-dimethyl imidazole) is adopted as the ligand and reacts with zincchloride to prepare the complex. The complex has a high DPPH free radical scavenging function, and the scavenging function is higher than that when 1-(benzotriazole-1-methyl)-1-(2,4-dimethyl imidazole) is used separately, and is higher than that of commonly used antioxidant vitamin E, and therefore, the complex has a good antioxidant function and is an innovation in antioxidant medicines.
