排序方式: 共有104条查询结果,搜索用时 265 毫秒
91.
SHEN Lihong HU Junping WANG Haixian WANG Aibing LAI Yisheng KANG Yanhui 《高等学校化学研究》2015,31(3):367-371
A series of novel uracil and 5-fluorouracil-1-yl-acetic acid-colchicine derivatives(6a-6n) was synthesized via coupling uracil and 5-fluorouracil(5-FU) with C-10 analogues of colchicine. The antitumor activities of the target compounds against human hepatocellular carcinoma(BEL7402) cells, human ovary carcinoma(A2780) cells, human lung adenocarcinoma(A549) cells and human breast carcinoma(MCF7) cells were tested in vitro, and the structure-activity relationship(SAR) of the compounds was also studied. The bioassay results demonstrate that most of the tested compounds display significant activity and particularly, compounds 6a, 6e, 6h and 6l show more potent cytotoxic activities than 5-fluorouracil and colchicine. The results show that the new derivatives of colchicine are potential suppressors on human cancer. 相似文献
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深入理解药物分子和核酸碱基间的相互作用机制对合理设计研发新型高效药物有重要意义. 本文运用密度泛函理论B3LYP方法对核酸碱基尿嘧啶和胸腺嘧啶与药物分子槲皮素间的氢键相互作用位点进行了研究. 使用B3LYP/6-31G(d)方法优化得到了30个稳定的氢键复合物结构, 使用B3LYP/6-311++G(3df,2p)方法计算了这些复合物的结合能. 研究结果表明, 槲皮素可以使用5个不同的结合位点与尿嘧啶或胸腺嘧啶形成氢键复合物, 尿嘧啶或胸腺嘧啶可以使用3个不同的结合位点与槲皮素形成氢键复合物. 当槲皮素的结合位点固定时, 槲皮素与尿嘧啶的位点u1或胸腺嘧啶的位点t1形成的氢键作用最强, 与位点u2或位点t2形成的氢键强度最弱; 当尿嘧啶或胸腺嘧啶的作用位点固定时, 二者与槲皮素的位点qu1 形成的氢键作用最强, 与位点qu5 作用强度次之, 与位点qu3的作用强度最弱. 分子中原子(AIM)和自然键轨道(NBO)分析计算结果表明, 轨道作用在氢键中起重要作用. 相似文献
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An efficient and green method for the synthesis of phthalide [isobenzofuran-1(3H)-one] fused pyrazoles via the catalyst-free condensation reaction of 2-formylbenzoic acid, hydrazine hydrate, and acetylenic esters in water is reported. Reaction of 2-formylbenzoic acid with 6-amino-uracils or cyclic 1,3-diketones resulted in the formation of phthalide-fused pyrimidine or cyclic 1,3-diketone derivatives. 相似文献
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Vassil B. Delchev Ivan G. Shterev Hans Mikosch 《Monatshefte für Chemie / Chemical Monthly》2008,139(4):349-362
Twelve binary and eight ternary H-bonded systems between uracil and water/methanol were investigated at the B3LYP and MP2 theoretical levels using 6 − 31 + G(d) basis functions. The binary and ternary systems that contain the hydroxo-uracil tautomer H-bonded with water and methanol
were found to be the most stable complexes. The calculated energy barriers of the intermolecular proton exchange showed that
the methanol molecule provokes larger reduction of the energy barrier of the intermolecular proton exchange reactions than
the water molecule.
Correspondence: Vassil B. Delchev, Department of Physical Chemistry, University of Plovdiv, Plovdiv, Bulgaria 相似文献
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Aleksandra Pałasz 《Monatshefte für Chemie / Chemical Monthly》2008,139(11):1397-1404
5-Arylidene-N,N-dimethylbarbituric acids undergo smooth hetero-Diels-Alder reactions with enol ethers to afford cis and trans diastereoisomers of 7-alkoxy-5-aryl-2H-pyrano[2,3-d]pyrimidine-2,4-diones in excellent yields (84–95%). Cycloadducts with cis-configuration were the major products. Three-component one-pot reactions of N,N-dimethylbarbituric acid, aromatic and heteroaromatic aldehydes, and enol ethers in the presence of piperidine gave uracils
also in very good yields (87–95%). The structure of the cycloadducts is discussed in terms of configuration and preferred
conformation.
Correspondence: Aleksandra Pałasz, Department of Organic Chemistry, Jagiellonian University, Kraków, Poland. 相似文献
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A. F. Fucaloro K. Dewey G. Fan K. Imuta D. Jensen M. Muranaka 《Journal of solution chemistry》2008,37(9):1289-1304
The partial molar volumes of uracil, thymine and adenine in water and adenine in aqueous solutions of uracil and thymine,
at fixed composition, were determined over a range of temperatures. The partial molar volumes of adenine in aqueous uracil
and thymine are less than in pure water. 相似文献
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Thomas Gustavsson kos Bnysz Nilmoni Sarkar Dimitra Markovitsi Roberto Improta 《Chemical physics》2008,350(1-3):186
The excited state lifetimes of uracil, thymine and 5-fluorouracil have been measured using femtosecond UV fluorescence upconversion in various protic and aprotic polar solvents. The fastest decays are observed in acetonitrile and the slowest in aqueous solution while those observed in alcohols are intermediate. No direct correlation with macroscopic solvent parameters such as polarity or viscosity is found, but hydrogen bonding is one key factor affecting the fluorescence decay. It is proposed that the solvent modulates the relative energy of two close-lying electronically excited states, the bright ππ* and the dark nπ* states. This relative energy gap controls the non-radiative relaxation of the ππ* state through a conical intersection close to the Franck–Condon region competing with the ultrafast internal conversion to the ground state. In addition, an inverse isotope effect is observed in D2O where the decays are faster than in H2O. 相似文献
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