Syntheses of 1,3,4-Thia（oxa）diazole-substituted Pyrazole Derivatives and Their Fungicidal Activities

A series of 1,3,4-oxadiazole or 1.3.4-thiadiazole-substituted pyrazole derivatives were synthesized from 4-pyrazole formhydrazide; their biological activities were studied. The structures of all the new compounds were confirmed by means of spectroscopic methods and microanalyses. The preliminary bioassay results indicate that some compounds of them have a good fungicidal activity against Phoma asparagi and Physalospora piricola Nose.     

2D-QSAR Studies on Phenoxybenzoic Acid Derivatives: A Novel Class of 5a-Reductase Inhibitors

The quantitative structure-activity relationship （QSAR） of 14 phenoxybenzoic acid derivatives was studied by ab initio method at the HF/6-31G level using Guassian03 software. The optimized structures together with some characteristic and electric parameters of the title compounds were obtained; some stereo-parameters were calculated by HyperChem software. Stepwise multiple regression and principal component regression methods are adopted to establish multi-parametric models between biological activity and parameters. The results indicated that the lager Ehomo, M, V and LogP, the smaller Etumo and S, and the higher biological activity. A theoretical direction was provided to synthesize some compounds with high activity.     

Synthesis,Bioactivity and Crystal Structure Analysis of Novel Benzo[d]isothiazol-3（2H）-ones

Two compounds,3-oxo-N-o-tolylbenzo[d]isothiazole-2(3H)-carboxamide (1) and N-(2-methoxyphenyl)-3-oxobenzo[d]isothiazole-2(3H)-carboxamide (2),were synthesized from the initial compound benzo[d]isothiazol-3(2H)-one (BIT) and characterized by 1 H NMR,IR and elemental analysis,respectively.The single crystals of compounds 1 and 2 were obtained and determined by X-ray diffraction analysis.The preliminary results of biological activity experiment show that some of the title compounds exhibited a favorable antimicrobial activity.     

2D-QSAR Studies on Pyrazole Compounds Containing Pyrimidine Amino

The quantitative structure-activity relationship (QSAR) of 16 pyrazole compounds was studied by ab initio method at the HF/3-21G level using Guassian03 soft. The optimized structures together with some characteristic and electric parameters of the title compounds were obtained; some stereo-parameters were calculated by HyperChem software. Stepwise multiple regression method was adopted to establish bi-and tri-parametric models between biological activity and some parameters. The lager ΔE and logP,the higher biological activity; and the biological activity would be promoted with the smaller μ,QN and QPYRA. It provided a theory direction to synthesize some compounds with high activity.     

Synthesis of a new series of anti-rhinovirus compounds

The synthesis of a series of 3,6-dichloropyridazine derivatives was described.In vitro experiment,all compounds exhibited ananti-rhinovirus activity,and one of the compounds 6g showed the comparable activity as our lead compound pirodavir.     

2D-QSAR Studies on Triazolone Compounds Containing Benzenesulfonic Amide

The geometry structures of 6 triazolone compounds containing benzenesulfonic amide were fully optimized with DFT (Density Functional Theory) method at the B3LYP/6-31G level, and the structural and electronic parameters of the compounds were calculated. The hydrophobic and topological parameters of the title compounds were calculated by HyperChem software. The mono-and bi-parametric models between the parameters and biological activity of the compounds were analyzed by Multiple Linear Regression method based on Hansch-Fujita model. The results show that the activities of the title compounds were increased with higher hydrophobic property logP and molecular volume V, lower molecular energy ETOTAL and elec-tronegative of benzene ring Qph.     

Novel N-heteroaromatic dyes for textile substrates

This study reports the synthesis and characterization of quinoline derivatives. The synthesized quinoline compounds were applied to the dyeing treatment of acrylic fabrics. The color fastness to washing and light of quinoline compound-dyed fabrics was examined. Human skin HaCaT cell line was also used for the skin cytotoxicity evaluation of the quinoline compound-dyed acrylic fabrics.     

Syntheses of Lactam Derivatives of Chenodeoxycholic Acid and in vitro Antiproliferative Activity

With chenodeoxycholic acid as starting material,a series of lactam derivatives of chenodeoxycholic acid was synthesized and their antiproliferative activities against some cancer cells were determined.Among the synthesized derivatives,compounds 6 and 18 displayed distinct antiproliferative activity against PC-3,H-292,SKBR3 and Hey-1B cancer cells,and compounds 10,17 and 18 showed significant antiproliferative activity against SKBR3 cells.Our results reveal that the position of hydroximino on ring A or B of the parental scaffold dramatically affects the antiproliferative activity of these compounds.The conversion of 7-hydroximino to other substituent or 7-hydroximino to 3-hydroximino in the compounds resulted in a dramatic decrease of the antiproliferative activity,suggesting the importance of 7-hydroximino group for the biological activity of the compounds.The structure/activity correlation generated from the studies provides valuable information for the further design of novel chemotherapeutic drugs.     

Ceric(IV)-mediated Oxidative Addition of 1, 3-Dicarbonyl Compounds to MCPs: A Facile Access to Dihydrofuran Derivatives Incorporating Cyclopropyl Groups

A variety of simple cyclopropane-containing compounds have been of synthetic interest due to their biological activity1. The dihydrofuran ring system is found prevalently at the central position of diverse classes of naturally occurring and biologically a…     

Synthesis and Biological Activities of 3—（2—Furyl）—4—aryl—1,2,4—triazole—5—thiones

A series of novel compounds 3-(2-furyl)-4-aryl-1,2,4-triazole-5-thiones have been synthesized.All the compounds were characterized by spectral data and elemental analysis. The preliminary biological test showed that some of them exhibited excellent plant-growth regulative activities.     

Synthesis and biological evaluation of 3-amino-2-pyrones as selective cyclooxygenase-1 (COX-1) inhibitors

A group of 3-amino-2-pyrones were synthesized and their biological activities were evaluated for inhibiting cyclooxygenase（COX） activity.This study has led to the identification of COX-1-selective inhibitors.Among the tested compounds,the compound 5j exhibited the most potent COX-1 inhibitory activity(IC₅₀ = 19.32μg/mL) and COX-1 selectivity index（SI = 41.98）.     

Two Novel Copper （ Ⅱ ） Complexes with A Novel Ligand 2,4-Di （2-aminopyridine）- 6-methylpyrimidine

Introduction The design and syntheses of multidentate Ndonor ligands have become the focus of much interest in the chemical field^[1-4] because these ligands can form multinuclear metal compounds, coordination polymers and supramolecular compounds, which play a very important role in the biological systems, magnetic materials, electric materials,     

Novel plant activators with thieno[2,3-d]-1,2,3-thiadiazole-6-carboxylate scaffold： Synthesis and bioactivity

The 1,2,3-thiadiazole-carboxylate moiety was reported to be an important pharmacophore of plant activators.In this study,a series of novel plant activators based on thieno[2,3-d]-1,2,3-thiadiazole-6-carboxylate were designed and synthesized and their biological activity as plant activators was studied.The structures of the novel compounds were identifed by1H NMR,19F NMR and HRMS.The in vivo bioassay showed that these novel compounds had good effcacy against seven plant diseases.Especially,compounds 1a and 1c were more potent than the commercialized plant activator BTH.Almost no fungicidal activity was observed for the active compounds in the in vitro assay,which matched the requirements as plant activators.     

Studies on Tricyclohexyltin ( Ⅳ ) Diaryldithiophosphates

Fourteen new tricyclohexyltin (Ⅳ)-O,O-diaryldithiophosphates were synthesized and determined by IR, 1H NMR, 13C NMR, 119Sn NMR MS, and elemental analysis. The structures of all the compounds consist of discrete molecule containing a four-coordinated tin atom. Results from the preliminary biological test show that these compounds have a high miticidal activity.     

Synthesis and Antimicrobial Activity of Some 3-Substituted-5,6-dimethoxy-2,3-dihydrobenzo[d]thiazol-2-one

Sixteen new compounds derived from the 2,3-dihydrobenzo[d]thiazol-2-one template with various side-chains in position-3 were synthesized and evaluated for their antimicrobial activity. Antibacterial and antifungal screening of the compounds prepared showed that 5,6-dimethoxy-3-(2-oxo-propyl)-2,3-dihydrobenzo[d]thiazol-2-one (3g) exhibited the highest activity.     

2-氰基-3-甲硫基-3-取代甲氨基丙烯酸酯类化合物的合成及其除草活性

A series of 2-cyano-3-methylthio-3-substituted methylaminoacrylates were synthesized as herbicidal inhibitors of photosystem Ⅱ （PSⅡ） electron transport, in order to estimate the effect of fluorine atom, pyridyl group, chirality and ester chain on activity. The important intermediate 2-fluoro-5-aminomethylpyridine was synthesized with high yield. The bioassay results showed that most of rifle compounds had high herbicidal activity in postemergence treatment. The introduction of an a-methyl into the 3-substituted methylamino could improve the activity notably. The replacement of hydrogen by chlorine or fluorine group and phenyl by pyridyl group showed different effects, and at the same time, the ester chain affected the activity too.     

Synthesis of Pyridazinonethiadiazoles as Possible Antifungal Agents

Pyridazine derivatives represent one of the most active classes of compounds possessing a wide spectrum of biological activity. They are widely used in pharmaceuticals and agrochemicals1. On the other hands, 1,3,4-thiadiazole derivatives exhibit a broad spectrum of biological activity2-5. In view of these facts and in continuation of our interest in the chemistry of pyridazines, it was attempted to synthesize novel tri-heterocyclic compounds containing both pyridazinone and 1,3,4-thiadiazole m…     

Structure and Biological Activities of 2-（ 1,3-Dithiolan-2-ylidene）-1-phenyl-2- （ 1,2,4-triazol-1 -yl ） ethanone

In order to find leading compounds with an excellent fungicidal activity, the title compound 2-（ 1,3-dithiolan-2- yl-idene）-1-phenyl-2-（ 1,2,4-tfiazol-1-yl） ethanone was synthesized according to the biological isosterism and its structure was confirmed by means of IR, MS, ^1 H NMR and elemental analysis. The single crystal structure of the title compound was determined by X-ray diffraction. The preliminary biological test shows that the synthesized compound exhibits some biological activities.     

Synthesis and cytotoxic activity of 2,5-disubstituted pyrimido[5,4-c]quinoline derivatives

A series of 2,5-disubstituted pyrimido[5,4-c]quinoline derivatives were synthesized and their cytotoxic activity against H460, HT-29 and MDA-MB-231 cell lines was evaluated in vitro.It was found that most of the tested compounds especially compound 17, shown stronger activity to the selected three cell lines than ZM447439.     

Crystal Structure and Biological Activities of （R）-N′-[2-（4-Methoxy-6-chloro）-pyrimidinyl]- N-[3-methyl-2-（4-chlorophenyl）butyryl]-urea

1 INTRODUCTION The acyl ureas are a kind of high biological acti- vity compounds with low toxicity to mammals, birds, fish, amphibians, etc., and significant organic synthe- sis intermediates working extensively as insecticides, pesticides, fungicides and herbicides in agrochemi- cal industry[1～7]. While pyrimidinyl derivatives show excellent biological activities in the development of pesticide, and are used to develop high effective and high select herbicides. For example, pyrimidiny su…