Synthesis of Hymecromone Derivatives Containing Chiral 1,1''''-Bi-2-naphthyl Moiety for Dual-mode Molecular Switch

Some hymecromone derivatives containing chiral 1,1'-bi-2-naphthyl moiety were synthesized and their photodimerizations were investigated. It was found that fluorescence intensity and optical rotation of the new chiral hymecromone derivatives could be regulated by light. This property has potential significance for developing a new type of dual-mode molecular switch.     

Synthesis,Structure and Molecular Docking of New 4,5-Dihydrothiazole Derivatives Based on 3,5-Dimethylpyrazole and Cytisine and Salsoline Alkaloids

The interaction results of 1,2-dibromo-3-isothiocyanatopropane with some pyrazoles as well as cytisine and salsoline alkaloids were presented in this paper. It was shown that the reaction resulted in one one-step and rather mild method for the preparation of the corresponding 1,3-thiazoline bromomethyl derivatives. The yield of this reaction was affected by the presence of a base and an order in which reagents were added. Molecular docking of the synthesized 1,3-thiazoline derivatives for putative antibacterial activity was carried out using the penicillin-binding target protein (PBP4) of the bacteria E. coli “Homo sapiens” and S. aureus “Homo sapiens” as an example. Molecular docking demonstrated that the compounds had insignificant binding energies at the level of selected reference drugs (Cephalotin and Chloramphenicol). The presence of natural alkaloids in the structure of thiazoline derivatives somewhat increased the affinity of these substrates for target proteins selected.     

Synthesis and Antiproliferative Activity of Some 1H-Isochromen-1-ones and Their Thio Analogues

A series of 1H-isochromen-1-one derivatives and their thio analogues were synthesized by thionation using Lawesson's reagent for evaluation of their cytotoxic effect on cancer cells. The effect of these derivatives was tested on the growth of human epidermoid carcinoma A431 cell line by MTT [3-(4, 5-dimethylthiazol-2-yl)-2, 5-diphenyltetrazolium bromide] colorimetric assay. MTT assay revealed that these new compounds are potent inhibitors of cell growth.

Supplemental materials are available for this article. Go to the publisher's online edition of Phosphorus, Sulfur, and Silicon and the Related Elements to view the free supplemental file.     

缩氨基硫脲及其环化产物噻二唑的合成及其活性

合成了两个缩氨基硫脲及其两个环化产物———１,３,４－噻二唑,考察了噻二唑杂环的闭合条件,测定了产物的部分物理常数及红外光谱,对化合物作了初步抑菌活性筛选。为含有碳氮硫活性中心的金属螯合配体的研究提供了基础     

苯并二氮杂(艹卓)类衍生物在质谱中的逆偶极加成反应

在对二氮杂(艹卓)类衍生物--二氢-1,5-二氮杂卓上亚胺双键与腈氧化物环加成产物的电子轰击质谱(EI-MS)研究中,发现这些衍生物均形成了丰度较大的逆1,3-偶极加成(Retro-1,3-Dipolar Addition,RDA)的碎裂反应产物特征离子.     

Synthesis and anti-integrase evaluation of novel calix[4]arene derivatives containing the triazolyl 1,3-diketo moiety

A series of novel calix[4]arene derivatives incorporating two triazolyl 1 3-diketo subunits in alternate positions at the lower rim were synthesized and screened for HⅣ integrase inhibition activity.The chemical structures of these compounds were confirmed by means of1H NMR 13C NMR,and ESI-MS.Preliminary bioassays indicated that calix[4]arene derivatives proved to be more active than p-tertbutylcalix[4]arene derivatives.In particular,compound 4g presented the most potent integrase strand transfer inhibitory activity with an IC50value of 6.1 mmol/L.     

新型含芳氧乙酸酯基三唑酮类化合物的合成及生物活性研究

通过芳氧乙酸与2-溴-4,4-二甲基-1-(1H-1,2,4-三唑-1-基)-3-戊酮反应, 合成了14个新型含芳氧乙酸酯基三唑酮类化合物. 所有化合物均经核磁、元素分析确证, 部分化合物进行了红外和质谱的测定. 生物活性测试表明部分化合物具有良好的生物活性.     

对称桥头二取代金刚烷衍生物的合成

以易得的1-金刚烷甲酸为原料, 合成了一系列对称桥头二取代金刚烷衍生物. 由1-金刚烷甲酸经Koch-Haaf羰基化反应得到1,3-金刚烷二甲酸(1); 化合物1经还原得到1,3-金刚烷二甲醇(2); 化合物2在HBr-ZnBr₂体系中经溴代反应得1,3-二(溴甲基)金刚烷(3); 同时经Apple-Lee反应将化合物2转化得到1,3-二(氯甲基)金刚烷(4). 采用红外光谱和核磁共振氢谱等手段表征了产物的结构, 提出了可能的反应机理, 并对合成条件进行了优化.     

5,7-二甲基-1,2,4-三唑并[1,5-a]嘧啶-2-氧乙酰腙类衍生物的合成与生物活性

以5,7-二甲基-1,2,4-三唑并[1,5-a]嘧啶-2-甲硫醚为起始原料, 设计合成了15个新型的5,7-二甲基-1,2,4-三唑并[1,5-a]嘧啶-2-氧乙酰腙及10个(R)-5,7-二甲基-1,2,4-三唑并[1,5-a]嘧啶-2-氧(α-甲基)乙酰腙类化合物, 通过元素分析、 MS和 1H NMR对所合成的化合物进行了结构表征. 初步生物活性测试结果表明, 部分化合物表现出不同程度的除草及杀菌活性. 目标化合物中引入手性中心有利于生物活性的提高.     

Cycloaddition Reactions of Benzonorbornadiene and Homonorbornadiene: New Isoxazoline and Pyridazine Derivatives

Ten new isoxazoline derivatives were synthesized from the reactions of benzonorbornadiene and homonorbornadiene derivatives with nitrile oxides formed from benzaldehyde and 4‐substituted benzaldehyde. Two new pyridazine derivatives were also synthesized from the reaction of the homonorbornadiene derivatives with 3,6‐di (2‐pyridyl)‐s‐tetrazine. It was seen that all cycloaddition reactions were realized as exo selectivity. Finally, γ‐Gauche effect in the isoxazoline derivatives was discussed.     

低价钛促进的苯并咪唑并[1,2-c]喹唑啉衍生物的合成

利用低价钛试剂促进的2-邻硝基苯基苯并咪唑与原甲酸酯或丙酮或固体光气的反应, 合成了一系列苯并咪唑并[1,2-c]喹唑啉衍生物, 化合物的结构经IR, 1H NMR, MS和元素分析确定, 化合物4c的结构经单晶X射线衍射分析进一步确证. 该方法具有原料易得、操作简便和产率高等优点.     

N-酰基吡唑衍生物的合成与生物活性

N-酰基吡唑衍生物的合成与生物活性;拟除虫菊酯;1H吡唑衍生物;合成;生物活性     

1-烷基-2-甲基咪唑衍生物的高效简便合成

本文优化了溴乙烷与2-甲基咪唑的N-烷基化反应条件,并且高收率地合成了一系列具有抗菌活性的1-烷基-2-甲基咪唑衍生物。     

Synthesis and thermal properties of novel calix[4]arene derivatives containing 1,2,3-triazole moiety via K2CO3-catalyzed 1,3-dipolar cycloaddition reaction

Two calix[4]arene derivatives containing 1,2,3-triazole moiety were synthesized via K2CO3-catalyzed1,3-dipolar cycloaddition reaction between calix[4]arene-based azide and active methylene compounds in good yields.The structures of the two compounds synthesized herein were fully confirmed by 1HNMR,,（13）C NMR,and MS（ESI）.The thermal analysis showed that the mass losses of the synthesized compounds 4 and 5 containing 1,2,3-triazole groups are similar to each other.     

2，4，6-三〔芳基氨基)-1，3，5-三嗪衍生物的合成方法和微波效应研究

用碳酸氢钠作扑酸剂，将芳香胺和氰尿酰氯在1，4-二氧六环中回流状态下反 应合成了7个2，4，6-三(芳基氨基)-1，3，5-三嗪衍生物，其中6个是新化合物． 与已有文献报道的方法相比，条件温和，易于操作，收率高．所合成化合物的结构 通过元素分析，FAB-MS，IR确定．在二氧六环：DMF为10：3(V：V)的混合溶剂中， 研究了在微波照射下和常规加热下反应速率的差异．结果表明，微波加热比常规加 热下的反应速率至少高10倍以上．     

Cytoprotective Activity of Newly Synthesized 3-(Arylmethylamino)-6-Methyl-4-Phenylpyridin-2(1H)-Ones Derivatives

Currently, studies are being conducted on the possible role of the cytoprotective effect of biologically active substances in conditions of cerebral hypoxia or cardiomyopathies. At the same time, oxidative stress is considered one of the important mechanisms of cellular cytotoxicity and a target for the action of cytoprotectors. The aim of this study is to search for derivatives of 3-(arylmethylamino)-6-methyl-4-phenylpyridin-2(1H)-ones. The probability of cytoprotective action was assessed by measuring cell viability using two tests (with neutral red dye and MTT test). It was found that some derivatives of 3-(arylmethylamino)-6-methyl-4-phenylpyridin-2(1H)-ones under the conditions of our experiment had a pronounced cytoprotective activity, providing better cell survival in vitro, including the MTT test and conditions of blood hyperviscosity. To correlate the obtained results in vitro, molecular docking of the synthesized derivatives was also carried out. The standard drug omeprazole (co-crystallized with the enzyme) was used as a standard. It was shown that all synthesized derivatives of 3-(arylmethylamino)-6-methyl-4-phenylpyridin-2(1H)-ones had higher affinity for the selected protein than the standard gastro-cytoprotector omeprazole. The studied derivatives of 3-(arylmethylamino)-6-methyl-4-phenylpyridin-2(1H)-ones also fully satisfy Lipinski’s rule of five (RO5), which increases their chances for possible use as orally active drugs with good absorption ability and moderate lipophilicity. Thus, the results obtained make it possible to evaluate derivatives of 3-(arylmethylamino)-6-methyl-4-phenylpyridin-2(1H)-ones as having a relatively high cytoprotective potential.     

2，4-二羟甲基四氢吡咯衍生物的合成及对烯烃环氧化反应的诱导

用手性的丙烯酸薄荷醇酯与原位生成的1，3-偶极试剂发生Diels-Alder反应， 得到一系列新的手性2，4-二酯基四氢吡咯衍生物，经氢化铝锂还原得到纯的手性 2，4-二羟甲基吡咯衍生物。并首次发现，在用Oxone氧化烯时，2，4-二羟甲基四 氢吡咯衍生物能有效地诱导烯烃发生环氧化反应，转化率达到定量。     

1,5-二取代吡唑基-1,4-戊二烯-3-酮类化合物的合成及生物活性研究

设计合成了13个未见文献报道的1,5-二取代吡唑基-1,4-戊二烯-3-酮类化合物, 其结构经元素分析, 1H NMR, IR确证. 初步生物活性测试结果表明, 部分化合物有一定的抗烟草花叶病毒(TMV)活性, 所有化合物抑菌活性较低.     

Oxidative amidation of benzyl alcohol,benzaldhyde, benzoic acid styrene and phenyl acetylene catalyzed by ordered mesoporous HKUST‐1‐Cu: Effect of surface area on oxidative amidation reaction

HKUST‐1‐Cu synthesized in the presence and absence of P‐123 trough solvotermal method. After characterization using some different microscopic and spectroscopic techniques such as XRD, FT‐IR, SEM, ICP, BET and TEM its catalytic activity was investigated in the oxidative coupling of benzyl alcohol, benzaldhyde, benzoic acid, styrene and phenyl acetylene with N,N‐dialkylformamides for the preparation of N,N‐dimethylformamides. Different derivatives of tertiary amides were synthesized in moderate to good yields in the presence of just ~0.28 mol% of this catalytic system. Reusability of the synthesized catalysts was examined and catalysts were reusable for 8 times without significant decrease in optimized conditions.     

An efficient method for the preparation of mono α-aryl derivatives of diethyl malonate and ethyl cyanoacetate using ethyl-1-imidazole carbamate (EImC)

An efficient method for the synthesis of mono α-aryl derivatives of diethyl malonate and ethyl cyanoacetate using ethyl-1-imidazole carbamate (EImC) has been described. Using this method many sterically hindered and highly substituted mono α-aryl derivatives of diethyl malonate and ethyl cyanoacetate were synthesized in high yield.