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Reaction of 1,1-Di-p-methoxyphenyl-2,2-dinitroethylene and 1,1-Di-O-methoxyphenyl-2,2-dinitroethylene with 1-Benzyl-1,4-dihydroni-cotinamide:Evidence for Concerted Electron-hydrogen Atom Trans-fer Mechanism
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作者 DanMeiDAI YouChengLIU +3 位作者 JingLI PeiWANG XuDongCHEN ThomasC.W.MAK 《Chinese Chemical Letters》 SCIE CAS CSCD 2004年第3期353-356,共4页
Di-p-methoxyphenyl-2, 2-dinitroethylene reacts with 1-benzyl-1, 4-dihydronico- tinamide (BNAH) in deaerated acetonitrile to give 1, 1-di-p-methoxyphenyl-2, 2-dinitroethane, while 1, 1-di-O-methoxyphenyl-2, 2-dinitroet... Di-p-methoxyphenyl-2, 2-dinitroethylene reacts with 1-benzyl-1, 4-dihydronico- tinamide (BNAH) in deaerated acetonitrile to give 1, 1-di-p-methoxyphenyl-2, 2-dinitroethane, while 1, 1-di-O-methoxyphenyl-2, 2-dinitroethylene fails to react with BNAH under the same conditions, which provides evidence for a concerted electron-hydrogen atom transfer mechanism. 展开更多
关键词 Di-p-methoxyphenyl-2 2-dinitroethylene 1-di-O-methoxyphenyl-2 2-dinitro- ethylene 1-benzyl-1 4-dihydronicotinamide curve-crossing model.
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Synthesis, Characterization and X-ray Crystal Structure of 2-Benzyl-7-butoxyl-9-isobutyl-1-methyl-β-carboline Bromide
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作者 甘紫云 曹日晖 +1 位作者 马芹 郭亮 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 2015年第7期1035-1040,共6页
2-Benzyl-7-butoxyl-9-isobutyl-1-methyl-β-carboline bromide(H-2-65) was synthesized by the reaction of Harmine with 1-iodobutane via N9-alkylation, demethyl and N2-quaternarization to obtain the new compound. The re... 2-Benzyl-7-butoxyl-9-isobutyl-1-methyl-β-carboline bromide(H-2-65) was synthesized by the reaction of Harmine with 1-iodobutane via N9-alkylation, demethyl and N2-quaternarization to obtain the new compound. The results demonstrate that H-2-65 has more remarkable anticancer activities in vitro. The results of 1H NMR, 13 C NMR, DEPT, g COSY, g HSQC, g HMBC, MS, single-crystal X-ray diffraction and elemental analysis showed that the title compound crystallizes in the triclinic system, space group P1 with a = 9.545(5), b = 11.724(5), c = 11.839(6) , α = 77.530(6), β = 87.169(6), γ = 72.823(5)o, Z = 2, V = 1235.8(10)3, Dc = 1.294 g·cm-3, F(000) = 504, the final R = 0.0453, wR = 0.1262 and S = 1.044. 展开更多
关键词 2-benzyl-7-butoxyl-9-isobutyl-1-methyl-β-carboline bromide synthesis crystalstructure
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Weak Interactions and 2D Layer Structure of a New Ion-pair Complex Bis(1-benzyl-4-methylquinolinium)-bis(maleonitriledithiolato)nickel(Ⅱ)
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作者 周家容 倪春林 《Chinese Journal of Structural Chemistry》 SCIE CAS CSCD 北大核心 2007年第11期1263-1266,共4页
A new ion-pair complex, [BzMeQ1]2[Ni(nmt)2]1([BzMeQ1]^+ = 1-benzyl-4-ntethylquino- linium, mnta- -- maleonitriledithiolate) has been synthesized and structurally characterized by IR, ESI-MS and X-ray diffraction ... A new ion-pair complex, [BzMeQ1]2[Ni(nmt)2]1([BzMeQ1]^+ = 1-benzyl-4-ntethylquino- linium, mnta- -- maleonitriledithiolate) has been synthesized and structurally characterized by IR, ESI-MS and X-ray diffraction methods. Complex 1 is of triclinic, space group PI, with a = 9.079(2), b = 10.154(2), c = 11.243(2)A, α= 81.58(1), β= 69.63(1), γ = 68.02(1)°, V= 940.1(3)A3, Dc = 1.427 g/cm^3, Z = 1, F(000) = 418 and R = 0.0442. A 2D layer structure is formed via the cation-cation π…π and C-H…π interactions observed in the solid state of the complex. 展开更多
关键词 1-benzyl-4-methylquinolinium bis (maleonitriledithiolate)nickclatc(Ⅱ) complex weak interactions 2D layer structure
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I_(2)-DMSO-Mediated Multicomponent [2+1+1+1] Annulation Reaction via Ethyl Nitroacetate C-NO_(2), Bond Cleavage as a C1 Synthon: A Route to Multisubstituted β-Pyrrolidinones Derivatives with a Quaternary Center
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作者 Zhi-Cheng Yu Xi Shen +4 位作者 You Zhou Xiang-Long Chen Li-Sheng Wang Yan-Dong Wu An-Xin Wu 《Chinese Journal of Chemistry》 SCIE CAS CSCD 2024年第17期2029-2034,共6页
A[2+1+1+1]cyclization reaction has been developed for the synthesis of multisubstituted 6-pyrrolidinones from commercially available aryl methyl ketones,primary amines,and ethyl nitroacetate.In this I_(2)-DMSO-meditat... A[2+1+1+1]cyclization reaction has been developed for the synthesis of multisubstituted 6-pyrrolidinones from commercially available aryl methyl ketones,primary amines,and ethyl nitroacetate.In this I_(2)-DMSO-meditated process,the C-NO_(2) bond of ethyl nitroacetate is cleaved,affording a C1 synthon,and the formation of two C-C and two C-N bonds and a quaternary carbon center are constructed in one pot.This method has good substrate compatibility and permits the late-stage modification of pharmaceutical compounds. 展开更多
关键词 CYCLIZATION Multisubstitutedβ-pyrrolidinones I_(2)-DMSO C1 building blocks Quaternary carbon center Late-stage modification Cracking
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Structure-based design and synthesis of 5-benzyl-2-phenylpyrimidin-4(3H)-one derivatives as novel MEK1 inhibitors
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作者 Can Li Hongyue Li +6 位作者 Jing Sun Dandan Xi Chao Wang Lei Liang Fengrong Xu Yan Niu Ping Xu 《Journal of Chinese Pharmaceutical Sciences》 CAS CSCD 2018年第10期686-695,共10页
Previous studies have shown that Ras/Raf/MEK/ERK signaling pathway is up-regulated in almost all cancer cells.Blocking of this pathway by MEK inhibition is an efficient therapeutic approach of cancer.In the present st... Previous studies have shown that Ras/Raf/MEK/ERK signaling pathway is up-regulated in almost all cancer cells.Blocking of this pathway by MEK inhibition is an efficient therapeutic approach of cancer.In the present study,we described the discovery of 5-benzyl-2-phenylpyrimidin-4(3 H)-one as a novel skeleton of allosteric MEK inhibitor.All acquired target compounds exhibited modest potency to inhibit MEK1 in Raf-MEK cascading assay,and docking studies revealed that the binding mode of the most potent compound(SJ3) was very similar to that of the well known diarylamine-based inhibitor(PD0325901).The results provided valuable guidance for further optimizations on this novel scaffold to achieve druggable molecules. 展开更多
关键词 5-benzyl-2-phenylpyrimidin-4(3H)-one MEK1 inhibitor Docking
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