2631-72-3Relevant academic research and scientific papers
Discovery and high-throughput screening of heteroleptic iridium complexes for photoinduced hydrogen production
Goldsmith, Jonas I.,Hudson, William R.,Lowry, Michael S.,Anderson, Timothy H.,Bernhard, Stefan
, p. 7502 - 7510 (2005)
The catalytic process of photoinduced hydrogen generation via the reduction of water has been investigated. The use of parallel synthetic techniques has facilitated the synthesis of a 32 member library of heteroleptic iridium complexes that was screened, using high-throughput photophysical techniques, to identify six potential photosensitizers for use in catalytic photoinduced hydrogen production. A Pd/Ni thin film hydrogen selective sensor allowed for rapid quantification of hydrogen produced via illumination of aqueous systems of the photosensitizer, tris(2,2′-dipyridyl)dichlorocobalt ([Co(bpy) 3]Cl2), and triethanolamine (a sacrificial reductant) with ultra-bright light emitting diodes (LEDs). The use of an 8-well parallel photoreactor expedited the investigation of the hydrogen evolution process and facilitated mechanistic studies. All six compounds investigated produced considerably more hydrogen than commonly utilized photosensitizers and had relative quantum efficiencies of hydrogen production up to 37 times greater than that of Ru(bpy)32+.
Synthesis, single crystal X-ray, Hirshfeld surface analysis and characterization of novel 4-(2,4-dichlorophenyl)-N-(2,6-dichlorophenyl)-1,3-thiazol-2-amine
Gayathri,Dasappa, Jagadeesh Prasad,Bhavya,Chandra,Mahendra
, p. 490 - 498 (2017)
In the present study, the spectroscopic characterization of a novel thiazole scaffold was studied. The formation of title compound 4-(2,4-dichlorophenyl)-N-(2,6-dichlorophenyl)-1,3-thiazol-2-amine(6) was evidenced through the changes in FTIR, 1H NMR, LCMS Data. The X-ray diffraction studies revealed that compound (6) crystallized in monoclinic crystal system with P21/c Space group with Z = 4. The percentage of intermolecular contacts contributing to the Hirshfeld surface in thiazole crystal was resolved by Hirshfeld surface analyses with 2D fingerprint plots.
BuChE-IDO1 inhibitor as well as preparation method and application thereof
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Paragraph 0031-0036, (2021/04/26)
The invention relates to the field of medicines, and particularly discloses a BuChE-IDO1 inhibitor as well as a preparation method and application thereof. The 7-chlorine-3-substituted benzothiophene part of sertaconazole is chemically modified, the influence of the 7-chlorine-3-substituted benzothiophene part of sertaconazole on the in-vitro inhibitory activity of AChE, BuChE and IDO1 is explored, the target compound is further optimized, and the technical problems that an existing BuChE-IDO1 inhibitor is poor in pertinence and safety are solved. What is explored is that an appropriate substituent group introduced to a 2-benzothiazole ring can form additional interaction with surrounding amino acids and heme iron, so that the binding affinity of the analogue with BuChE and IDO1 is increased, and a new idea is broadened for more efficient and targeted treatment of advanced AD diseases.
Novel BuChE-IDO1 inhibitors from sertaconazole: Virtual screening, chemical optimization and molecular modeling studies
Zhou, You,Lu, Xin,Du, Chenxi,Liu, Yijun,Wang, Yifan,Hong, Kwon Ho,Chen, Yao,Sun, Haopeng
, (2021/01/07)
In our effort towards the identification of novel BuChE-IDO1 dual-targeted inhibitor for the treatment of Alzheimer's disease (AD), sertaconazole was identified through a combination of structure-based virtual screening followed by MM-GBSA rescoring. Preliminary chemical optimization was performed to develop more potent and selective sertaconazole analogues. In consideration of the selectivity and the inhibitory activity against target proteins, compounds 5c and 5d were selected for the next study. Further modification of compound 5c led to the generation of compound 10g with notably improved selectivity towards BuChE versus AChE. The present study provided us with a good starting point to further design potent and selective BuChE-IDO1 inhibitors, which may benefit the treatment of late stage AD.
Antifungal water-soluble compound as well as preparation method and application thereof (by machine translation)
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Paragraph 0114-0116, (2020/06/02)
The invention provides an antifungal water-soluble compound, a preparation method thereof and application, of the compound as I shown in formula. The compound has good antifungal effect and water solubility, can be used for treating and preventing,configuration optical isomers of the optical isomer SRSS obtained by chiral synthesis. (by machine translation)
Novel thiazole–pyrazolone hybrids as potent ACE inhibitors and their cardioprotective effect on isoproterenol-induced myocardial infarction
You, Hongwen,Su, Xinyou,Su, Guoying
, (2020/08/27)
A facile synthesis of a group of novel thiazole–pyrazolone hybrids and their investigation for angiotensin-converting enzyme (ACE) inhibition are reported in this study. These compounds were synthesized using a well-known approach, based on the condensation of ethyl acetoacetate with thiazolylhydrazines, and characterized by various spectroscopic and analytical techniques. The entire set of compounds displayed a moderate-to-excellent inhibitory activity against ACE. In particular, compound 4i was found to be the most potent ACE inhibitor and was further studied for cardioprotective effects against isoproterenol (ISO)-induced myocardial infarction (MI) in rats. Compound 4i improved the cardiac function and prevented cardiac injury induced by ISO in Sprague Dawley rats. The levels of oxidative stress and proinflammatory cytokines were also restored to near normal by 4i as compared with the ISO group. In the Western blot analysis, compound 4i prevented mitochondrial apoptosis after MI by downregulating the expression of cleaved caspase-3 and Bax, with the upregulation of Bcl-2, as compared with the ISO group.
Imidazole compound and preparation method and application thereof, organic solderable protective agent containing imidazole compound and surface treatment method
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Paragraph 0152-0155; 0168-0171, (2020/05/05)
The invention relates to the technical field of precious metal surface treatment, and in particular, relates to the technical field of copper or copper alloy surface protection materials. The invention discloses a dichlorophenyl imidazole compound, an application of the dichlorophenyl imidazole compound serving as a film forming matter of an organic solderable protective agent, and an organic solderable protective agent. The invention also discloses an application of the compound in copper or copper alloy surface anti-oxidation treatment, and a surface treatment method of the copper or copperalloy, wherein the method comprises the following steps: infiltrating the surface of the copper or copper alloy with the organic weldable protective agent containing the compound, and drying to generate a coating layer on the surface.
Synthetic process of difenoconazole
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Paragraph 0013; 0014; 0018; 0019; 0024, (2019/07/16)
The invention discloses a synthetic process of difenoconazole, comprising the steps of synthesizing 2,4-dichloroacetophenone through ionic liquid acylation using m-dichlorobenzene as a raw material; then synthesizing alpha-bromo-2,4-dichloroacetophenone through a green bromination method; subjecting the alpha-bromo-2,4-dichloroacetophenone and 1,2-propanediol to cyclization to generate a ketal compound that is 2-(2,4-dichlorophenyl)-2-bromomethyl-4-methyl-1,3-dioxolane; subjecting the ketal compound and 1,2,4-triazole potassium to condensation to generate 1-[[2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole; and finally subjecting the 1-[[2-(2,4-dichlorophenyl)-4-methyl-1,3-dioxolan-2-yl]methyl]-1H-1,2,4-triazole and parachlorophenol to etherification to obtain the difenoconazole. The process has advantages of easily available raw materials, a high reaction conversion ratio, few byproducts, capability of being friendly to production environment and a low cost.
Synthesis technology for propiconazole
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Paragraph 0018; 0020; 0022; 0024-0025, (2019/06/30)
The invention discloses a synthesis technology for propiconazole. The synthesis technology comprises the following steps: 1) successively adding an organic solvent, 2,4-dichlorophenone, hydrogen peroxide and a catalyst into a reaction tank and dropwise adding liquid bromine; 2) keeping temperature at 40-45 DEG C for 1-8 hours and adding a reducing agent; 3) drying with magnesium sulfate and performing reduced pressure distillation; 4) cooling, separating and drying, thereby acquiring alpha-2,4-dichlorophenone; 5) adding methylbenzene, alpha-2,4-dichlorophenone, 1,2-pentanediol and p-toluene sulfonic acid into the reaction tank, heating till reflux reaction for 4-8 hours, and performing reduced pressure distillation, thereby acquiring 2-(2,4-dichlorophenyl)-2-bromine methyl-4-propyl-1,3-dioxolame; 6) adding dimethyl sulfoxide, catalyst, 1,2,4-triazole potassium and 2-(2,4-dichlorophenyl)-2-bromine methyl-4-propyl-1,3-dioxolame into the reaction tank, keeping temperature at 140 DEG C for5-10 hours, cooling, filtering, performing reduced pressure distillation, generating a salt with nitric acid, acidizing and neutralizing, performing reduced pressure distillation and purifying, thereby acquiring propiconazole. The synthesis technology disclosed by the invention is simple, environment-friendly and high in product purity.
Fragment splicing-based design, synthesis and safener activity of novel substituted phenyl oxazole derivatives
Fu, Ying,Zhang, Dong,Kang, Tao,Guo, You-Yuan,Chen, Wen-Geng,Gao, Shuang,Ye, Fei
, p. 570 - 576 (2019/01/04)
Fragment splicing is a primary strategy in the design and optimization of leading compound toward new skeleton with target bioactivity. Herein a series of novel substituted phenyl oxazole derivatives were designed via fragment analysis and coupling strategy that led to highly potent and bio-selective herbicide safener. The biological tests showed that most of the compounds could enhance the maize growth index, glutathione content and anti-reverse enzyme glutathione S-transferase activity in vivo. The molecular docking model exhibited that the novel compound could compete with chlorsulfuron binding to the herbicide target enzyme, which consequently attained the herbicide detoxification. Especially compound I-f displayed the best activities than commercial safener isoxadifen-ethyl and other compounds. The present work demonstrates that the synthesized compounds could be developed as potential candidates for the discovery of novel herbicide safeners in the future.
