Synthesis, Structure and Biological Activities of 2-Methylthio-3-cyano-7-（4-methoxyphenyl）- pyrazolo[1,5-a]pyrimidine

1INTRODUCTION Pyrazolo[1,5-a]pyrimidine derivatives have shown various biological activities in the terms of antibac-terial,antischistosomal and xanthine oxidase inhibi-tors[1~5].The enaminones are highly reactive inter-mediates and have been extensively used as build-ing blocks in organic synthesis especially in the he-terocyclic compounds[6~8].In addition,a great deal of interest has been focused on the synthesis of py-razolo[1,5-a]pyrimidine through versatile enamino-nes because of thei…     

新磺酰脲类化合物的合成及除草活性

新磺酰脲类化合物的合成及除草活性;嘧啶;合成;除草剂     

手性金属配合物Δ,Λ-[Ru(IP)_2dppz]~(2 )对含G:T错配的环丁烷嘧啶二聚体识别和部分构型修复的分子力学研究

环丁烷嘧啶二聚体(CyclobutanePyrimidineDimer,CPD)是紫外线对DNA损伤导致皮肤癌的首要环节,XPC-hHR23B是最早作为对CPD的损伤识别剂的,但其识别效率很低.本文首次采用分子力学方法模拟了一种新的手性金属配合物?,Λ-[Ru(IP)2dppz]2 对含G:T错配的CPD双螺旋DNA的识别作用.模拟结果显示:金属配合物[Ru(IP)2dppz]2 的两个手性异构体都对含G:T错配的CPD双螺旋DNA具有识别作用,识别的过程体现了很强的手性选择性、沟选择性和位点特异性.同时,我们发现:在Λ-[Ru(IP)2dppz]2 插入到CPD后,形成CPD的两个T碱基由原来的敞口形状部分地转为近平行状,使其在构型上得到初步的修复.     

Comparison of photodynamic efficacy of tetraarylporphyrin pegylated or encapsulated in liposomes: In vitro studies

Two photosensitizing systems: (1) tetrakis(4-hydroxyphenyl)porphyrin (p-THPP) encapsulated in sterically stabilized liposomes (SSL) and (2) p-THPP functionalized by covalent attachment of poly(ethylene glycol) (p-THPP–PEG₂₀₀₀) were studied in vitro. The dark and photo cytotoxicity of these systems were evaluated on two cell lines: HCT 116, a human colorectal carcinoma cell line, and DU 145, a prostate cancer cell line and compared with these determined for free p-THPP. It was demonstrated that both encapsulation in liposomes as well as attachment of PEG chain result in pronounced reduction of the dark cytotoxicity of the parent porphyrin. The liposomal formulation showed higher than p-THPP–PEG₂₀₀₀ photocytotoxicity towards both cell lines used in the studies.     

含1,2,4-三唑-5-硫酮席夫碱的新型1,2,4-三唑并[1,5-a]嘧啶衍生物的合成及生物活性研究

以2-苄硫基-5-甲基-7-羟基-1,2,4-三唑并[1,5-a]嘧啶为原料,经醚化、肼解、成盐、关环和席夫碱反应合成了20个新型的含1,2,4-三唑-5-硫酮席夫碱的1,2,4-三唑并[1,5-a]嘧啶类化合物,通过IR,1H NMR,MS和元素分析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,部分化合物表现出一定的抑菌或较好的抗烟草花叶病毒(TMV)活性.在500μg/mL浓度下,化合物6b,6f和6p对TMV的抑制率分别为41%,43%和40%.     

萘基薁并[2,1-d]嘧啶-4-胺类衍生物的合成

研究了萘基薁并[2,1-d]嘧啶-4-胺类衍生物的合成方法.以托酚酮、萘乙酸乙酯、N,N-二甲基甲酰胺二甲缩醛(DMF-DMA)及芳香胺为原料,依次经过氯代、缩合、环加成、环化反应得到目标产物.该反应操作简单、条件温和、收率良好.产物的结构经1H NMR,IR及元素分析等得以证实.     

尾式亮氨酸四苯基卟啉锌与嘧啶轴配反应光谱和热力学

研究了 5 - (4′ -亮氨酸丁氧苯基 ) - 10 ,15 ,2 0 -三苯基卟啉锌 (Zn[Leu -TPP])与嘧啶 (L)在氯仿溶液中轴配反应光谱和热力学性质 .用紫外 -可见分光光度法确定了轴向配位反应体系的配位数 (n)和平衡常数K .用温度系数法求得了轴配反应的标准摩尔焓变ΔrH m 和标准摩尔熵变ΔrS m .探讨了温度对轴向配位反应反应的影响 .     

Kinetics and mechanism of electron-induced splitting of a cyclobutane pyrimidine dimer with or without an electron acceptor

DNA repair has received heightened attention in recent years as ozone depletion threatens to significantly increase DNA damage by UVB radiation[1—6]. The major lesions formed in DNA by this radiation are cis-syn cyclobutane pyrimidine dimers, which are created by the linkage of two neighboring pyrimidine bases in DNA via C5-C5 and C6-C6 atoms by [2+2] cycloaddition[2,5—8]. This potentially lethal or mutagenic damage can be repaired either by the removal of the damaged bases by excisio…     

嘧啶类铜(Ⅱ)、锌(Ⅱ)配合物的合成和生物活性

嘧啶类衍生物;除草剂;嘧啶类铜(Ⅱ)、锌(Ⅱ)配合物的合成和生物活性     

二氢嘧啶并[4,5-d]嘧啶类衍生物作为集落刺激因子-1受体激酶抑制剂的分子对接和定量构效关系研究

集落刺激因子-1受体激酶（CSF-1R）属于Ⅲ型受体酪氨酸激酶家族成员,其在调控单核巨噬细胞系中发挥重要作用。CSF-1R及其配体异常表达与肿瘤发展过程密切相关。因此,CSF-1R信号传导可成为抗肿瘤治疗的有吸引力的靶标。本文用比较分子场分析法（CoMFA）和比较分子相似性指数分析法（CoMSIA）研究了54个二氢嘧啶并[4,5-d]嘧啶类CSF-1R激酶抑制剂的三维定量构效关系（3D-QSAR）。基于配体叠合,CoMFA和CoMSIA模型的交叉验证系数（q2）分别为0.725和0.636,拟合验证系数（r2）分别为0.960和0.958,结果表明这两种模型均具有较好的预测能力。所建模型的等势图能直观反映分子不同取代基对活性的影响,其中立体场和疏水场对活性的贡献较大。通过分子对接研究显示,氨基酸残基Cys666、Asp796在配体和受体结合过程中产生作用,分子对接的结合模式与3D-QSAR得到的结果一致。这些信息为进一步优化CSF-1R激酶抑制剂提供了理论基础。