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N-取代的3,4-二氢-1,3-苯并噁嗪具有生物活性,是潜在的安定剂和镇静剂,还是制备酚醛树脂的潜在中间体。一般以酚、伯胺和甲醛为原料,通过Mannish缩合反应来制备。本文通过2,4-二叔丁基苯酚、乙二胺和甲醛反应,合成了亚乙基桥联的双噁嗪,X-射线单晶衍射测定了它的晶体结构。 相似文献
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本文报道1-(5-二茂铁基-1,3,4-噻二唑-2-基)哌啶-2-酮(1)的合成。首先,在乙酸催化下,二茂铁甲醛(2)和氨基硫脲(3)反应得到二茂铁亚胺基硫脲衍生物(4)。然后,在三氯化铁作用下,中间体4发生关环反应得到5-二茂铁基-1,3,4-噻二唑-2-胺(5)。中间体5再与5-溴戊酰氯(6)发生N-酰基化反应得到5-溴-N-(5-二茂铁基-1,3,4-噻二唑-2-基)戊酰胺(7)。最后,在碱性条件下,中间体7发生分子内关环反应得到目标化合物(1)。中间体及产物结构经1H NMR、13C NMR和ESI-MS表征,产物1结构进一步通过X-单晶衍射确证。然后分别考察了中间体5及产物1收率的主要影响因素,确定中间体5合成的适宜条件为:三氯化铁的用量为n(三氯化铁)∶n(中间体4)=4∶1,反应温度80℃,反应时间为15 h,在该条件下,中间体5的收率达到61.9%;确定产物1合成的适宜条件为:反应溶剂为二氧六环,物料比为n(DIEA)∶n(6)∶(5)=3.0∶1.2∶1.0、反应温度为80℃,反应时间为4 h,在该条件下,产物1收率达到68... 相似文献
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以易得的环十二酮为原料,由磺化获得中间体α-氧代环十二烷基磺酸后,再经生成磺酰、氯和胺化反应合成了一系列N-取代-α-氧代环十二烷基磺酰胺(Ⅲ).生物活性测定结果表明,它们对小麦赤霉病菌(Gibberellazeae)的生长具有抑制作用,其中活性最高的是氮上取代有一氯苯基的化合物(Ⅲ7、Ⅲ8),通过构象分析讨论了它们的结构-活性关系. 相似文献
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The use of single capillaries (25 and 50 microm inner diameter (ID)) and coupled capillaries of different diameters (100-50 and 75-25 microm ID) based on micellar electrokinetic chromatography (MEKC) and sweeping-MEKC modes is compared and reported. Naphthalene-2,3-dicarboxaldehyde (NDA)-derivatized dopamine was selected as the model compound by examining the fluorescence intensity when a violet (410 +/- 7 nm, 2 mW) light-emitting-diode (LED) was used as the light source. When a single capillary (50 microm ID) was used, the detection limit for NDA-derivatized dopamine was determined to be 2.0 x 10(-7) M (Signal-to-nose ratio S/N = 3) based on the MEKC mode. This was improved to 4.0 x 10(-9) M when the sweeping-MEKC mode was applied. In addition, this can be further improved to 1.0 x 10(-9) M and 5.6 x 10(-10) M when 100-50 and 75-25 microm ID coupled capillaries are used. The use of the coupled capillary is also helpful for improving the separation efficiency. Based on the sweeping-MEKC mode, the number of theoretical plates (N) for the detected peaks were determined to be 6.3 +/- 2.7 x 10(5) by means of a single capillary (50 microm ID). This can be improved to 9.4 +/- 3.6 x 10(5) and 9.4 +/- 0.9 x 10(6) when the 100-50 and 75-25 microm ID coupled capillaries were applied. 相似文献
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The influence of natural drying (ND), hot-air drying (HD), vacuum drying (VD), infrared drying (ID) and freeze drying (FD) on bioactive compounds and bioactivities of Isodon rubescens (Hemsl.) was investigated in this study. The results showed that different drying methods resulted in the differences in bioactive compositions’ content, antioxidant and antibacterial activities of extracts from I. rubescens. FD sample possessed the highest content of total phenolics, total flavonoids and several main phenolic compounds, as well as the stronger antioxidant and antibacterial activities, followed by ND, HD and VD, the lowest for ID samples. For this reason, freeze drying would seem to be more advisable for the drying I. rubescens, and future studies could focus on the quality evaluation and optimising various drying parameters. 相似文献
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通过分子对接、分子动力学(MD)模拟以及成键自由能分析方法,从原子水平上模拟研究了3种1,7-二氮杂咔唑衍生物(分别记为M1、M2和M3)与ACh E的结合模式及相互作用机理,分析和讨论了研究体系的静电相互作用和范德华相互作用(vd W)。用MM-PBSA方法计算的3种抑制剂与ACh E之间的结合自由能与抑制剂的实验生物活性数据(IC50值)相对应。分析结果表明,残基S286与抑制剂之间形成的氢键作用有利于抑制剂与ACh E之间的结合。范德华相互作用,尤其是抑制剂与关键残基W279和Y334的作用,对抑制剂与ACh E之间的结合自由能有较大的贡献,在区分抑制剂M1(或M2)和M3的生物活性上发挥着重要的作用。 相似文献
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通过分子对接、分子动力学(MD)模拟以及成键自由能分析方法,从原子水平上模拟研究了3种1,7-二氮杂咔唑衍生物(分别记为M1、M2和M3)与AChE的结合模式及相互作用机理,分析和讨论了研究体系的静电相互作用和范德华相互作用(vdW)。用MM-PBSA方法计算的3种抑制剂与AChE之间的结合自由能与抑制剂的实验生物活性数据(IC50值)相对应。分析结果表明,残基S286与抑制剂之间形成的氢键作用有利于抑制剂与AChE之间的结合。范德华相互作用,尤其是抑制剂与关键残基W279和Y334的作用,对抑制剂与AChE之间的结合自由能有较大的贡献,在区分抑制剂M1(或M2)和M3的生物活性上发挥着重要的作用。 相似文献
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Kuehne ME Bornmann WG Markó I Qin Y LeBoulluec KL Frasier DA Xu F Mulamba T Ensinger CL Borman LS Huot AE Exon C Bizzarro FT Cheung JB Bane SL 《Organic & biomolecular chemistry》2003,1(12):2120-2136
Sixty-two congeners of vinblastine (VLB), primarily with modifications of the piperidine ring in the carbomethoxycleavamine moiety of the binary alkaloid, were synthesized and evaluated for cytotoxicity against murine L1210 leukemia and RCC-2 rat colon cancer cells, and for their ability to inhibit polymerization of microtubular protein at < 10(-6) M, and for induction of spiralization of microtubular protein, and for microtubular disassembly at 10(-4) M concentrations. An ID50 range of >10(7) M concentrations was found for L1210 inhibition by these compounds, with the most active 1000x as potent as vinblastine. 相似文献
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《中国科学:化学(英文版)》2017,(9)
Macrocycles possess potential applications in supramolecular chemistry and biosystems.Thus development of new kinds of macrocycles is of significance.Herein,novel macrocycles containing Se-Se/Se-S bonds were synthesized via transformation between selenium related dynamic covalent bonds.A monomer containing two ebselen moieties was synthesized(M1).The Se-N bonds in M1 were reduced by dithiothreitol,forming Se-S linked dimer(D1).To realize the transformation from Se-S bonds to Se-Se bonds,guest molecules were added as template,triggering the formation of Se-Se linked dimer(D2).The formation of these two new kinds of macrocycles was determined by ~1H NMR and ~(77)Se NMR,and the necessity of guest molecules was also confirmed.The introduction of ebselen moieties and Se-S bonds or Se-Se bonds into macrocycles may endow it with new responsiveness and bioactivities,as well as new types of host-guest chemistry. 相似文献
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A Pd(II)-catalyzed intramolecular cyclization of o-(1-alkynyl)phenylphosphonamide monoethyl esters was examined, and a new class of six-membered phosphorus heterocycles (phosphaisoquinolin-1-ones) were formed with high regioselectivity and good yields. The present reaction is the first example of intramolecular addition of P-NH to substituted alkynes, which provides a valuable way to synthesize novel phosphorus heterocycles with potential bioactivities. 相似文献