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834584706

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[求助] 得到一个化合物结构式,需要sciencefinder查询是否为新化合物已有1人参与

现在通过提取分离得到一个新化合物结构式见附件,各位同仁和学者,请帮忙通过sciencefinder查询一下是否为新化合物,小弟不吝感激!!
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  • 附件 1 : E5可能的结构.cdx
  • 2014-07-19 12:52:09, 3.96 K

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【答案】应助回帖

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感谢参与,应助指数 +1
834584706: 金币+20, ★★★很有帮助, 谢谢您,不过我看您发的都是合成的,想知道有没有提取分离得到的,不过已经帮了很大忙了!! 2014-07-22 20:03:54
不是新化,相似度大于99%,有3篇参考文献,我第一次回不懂怎么回

1. Bio-​inspired benzo[k,​l]​xanthene lignans: synthesis, DNA-​interaction and antiproliferative properties
Quick View Full Text By Spatafora, Carmela; Barresi, Vincenza; Bhusainahalli, Vedamurthy M.; Di Micco, Simone; Musso, Nicolo; Riccio, Raffaele; Bifulco, Giuseppe; Condorelli, Daniele; Tringali, Corrado
From Organic & Biomolecular Chemistry (2014), 12(17), 2686-2701.  |  Language: English, Database: CAPLUS
In this work twelve benzo[k,​l]​xanthene lignans were synthesized by biomimetic, Mn-​mediated oxidative coupling of caffeic esters and amides.  These compds., bearing different flexible pendants at position C1/C2 of the arom. core, interact with DNA in a dual mode, as confirmed by DF-​STD NMR anal. and mol. docking: the planar core acts as a base pair intercalant, whereas the flexible pendants act as minor groove binders.  Their antiproliferative activity was evaluated on a panel of six tumor cell lines: HT-​29, Caco-​2, HCT-​116 (human colon carcinoma)​, H226, A549 (human lung carcinoma)​, and SH-​SY5Y (human neuroblastoma)​.  All compds. under study, except I (R = OCH2CH2OH)​, resulted in activity against one or more cell lines, and the markedly lipophilic esters I (R = OCH2CH2Ph) and I (R = OBu) showed the highest activity.  Compd. I (R = OCH2CH2Ph) was more active than the anticancer drug 5-​fluorouracil (5-​FU) towards HCT-​116 (colon, GI50 = 3.16 μM) and H226 (lung, GI50 = 4.33 μM) cell lines.

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2. Structural basis for the potential antitumour activity of DNA-​interacting benzo[kl]​xanthene lignans
Quick View Full Text By Di Micco, Simone; Mazue, Frederic; Daquino, Carmelo; Spatafora, Carmela; Delmas, Dominique; Latruffe, Norbert; Tringali, Corrado; Riccio, Raffaele; Bifulco, Giuseppe
From Organic & Biomolecular Chemistry (2011), 9(3), 701-710.  |  Language: English, Database: CAPLUS
The biol. properties and possible pharmacol. applications of benzo[kl]​xanthene lignans, rare among natural products and synthetic compds., are almost unexplored.  In the present contribution, the possible interaction of six synthetic benzo[kl]​xanthene lignans and the natural metabolite rufescidride with DNA has been investigated through a combined STD-​NMR and mol. docking approach, paralleled by in vitro biol. assays on their antiproliferative activity towards two different cancer cell lines: SW 480 and HepG2.  Our data suggest that the benzo[kl]​xanthene lignans are suitable lead compds. for the design of DNA selective ligands with potential antitumor properties.
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3. Biomimetic Synthesis of Natural and "Unnatural" Lignans by Oxidative Coupling of Caffeic Esters
Quick View Full Text By Daquino, Carmelo; Rescifina, Antonio; Spatafora, Carmela; Tringali, Corrado
From European Journal of Organic Chemistry (2009), (36), 6289-6300.  |  Language: English, Database: CAPLUS
The metal-​mediated oxidative coupling of caffeic acid esters has been employed in the biomimetic synthesis of dimeric lignans and neolignans.  Phenethyl and Me caffeate esters were used as substrates and MnO2, Mn(OAc)​3 and Ag2O as oxidative coupling agents.  The manganese-​mediated reactions afforded in good yields the unusual benzo[kl]​xanthene lignans I as the major products accompanied by minor amts. of the aryldihydronaphthalene lignans (±)​-​II.  When Ag2O was employed, the neolignan (±)​-​III was obtained as the major product.  This biomimetic route was also used to obtain the natural benzo[kl]​xanthene lignans rufescidride and mongolicumin A.  A computational study of the coupling reactions was also carried out. (© Wiley-​VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)​.
2楼2014-07-22 11:16:48
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