Synthesis, Molecular Spectroscopy, Computational, Thermal Analysis and Biological Activity of Some Orotic Acid Complexes

Binary orotic acid metal complexes of Fe(III), Co(II), Ni(II), Cu(II), Zn(II), Cd(II), Hg(II), and two mixed metals complexes of (Co(II), Ni(II)) and (Ni(II), Cu(II)) were synthesized and characterized by elemental analysis, IR, electronic spectra, magnetic susceptibility, and ESR spectra. The Analysis proved that the ligand has different coordination modes and the complexes were of octahedral, tetrahedral, and trigonal bipyramidal geometries. Molecular modeling techniques and quantum chemical methods have been performed for orotic acid to calculate charges, bond lengths, bond angles, dihedral angles, electronegativity (χ), chemical potential (μ), global hardness (η), softness (σ) and the electrophilicity index (ω). The thermal decomposition of the complexes was monitored by TGA, DTA, and DSC techniques under the N2 atmosphere. The thermal decomposition mechanisms of the complexes were suggested. The biological activity of orotic acid and some of the complexes are tested against antibacterial and antifungal organisms.

Design, synthesis and in vitro evaluation of L-amino acid esters prodrugs of acyclic nucleoside phosphonates as anti-HBV agent

A series of novel L-amino acid esters prodrugs of acyclic nucleoside phosphonates was synthesized and their anti-HBV activity was evaluated in HepG2 2.2.15 cells. Compound 1d exhibited more potent anti-HBV activity and lower cytotoxicity than those of adefovir dipivoxil with EC50 and CC50 values of 0.207 μmol/L and 2530 μmol/L, respectively.

Synthesis, Dimeric Crystal Structure, and Biological Activities of N-(4-Methyl-6-oxo-1,6-dihydro-pyrimidin-2-yl)-N′-(2-trifluoromethyl-phenyl)-guanidine

The title compound, N-（4-methyl-6-oxo-1,6-dihydro-pyrimidin-2-yl）-N＇-（2-tritluoromethyl-phenyl）-guanidine, was synthesized and its structure was confirmed by using IR, MS,^1H NMR, and elemental analysis. The single crystal structure of the title compound was determined by X-ray diffraction. The preliminary biological test showed that the synthesized compound has a weak herbicidal activity.

Novel Phosphonoacetic Acid Derivatives.Synthesis of N-(Ethoxycarbonylmethylphosphonyl)-α-Amino Esters and-α-Amino Phosphonic Acid Esters and Their Bioactivities

A series of novel phosphonoacetic acid derivatives, N-(ethoxycarbonylmethy-ethoxyphosphonyl)-α-amino acid esters and α-amino phosphonates, were synthesized via the reaction of the corresponding phosphonyl chloride with amino acid ester hydrochlorides or amino phosphonates in the presence of a base. The preliminary bioassay shows that some compounds show significant anti-viral activity against tobacco mosaic virus (TMV)

Synthesis of N-(alkoxycarbonyl or alkoxycarbonyl-methyl-alkoxyphosphonyl)-α-amino-O,O-diphenyl phosphonates and their bioactivities

<正> With phosphoric formic acid (PFA) and its analog,phosphonoacetic acid (PAA),as the lead compounds,α-amino phosphonates were introduced into PFA and PAA.The derivatives oi N-( alkoxycarbonyl-aikoxyphosphonyl)-α-arnino phosphonates (Ⅰ) and N-(alkoxycarbonyl-methyt-alkoxyphosphonyl)-α-amino phosphonates (Ⅱ) with the N-terminal of amino phosphonates bonding to phosphorus atom of PFA and PAA were synthesized via the reaction of the corresponding phosphonyl chloride with a-amino phosphonates in the presence of a base.The 31P NMK spectra of Ⅰ and Ⅱwere determined.It is found that the coupling constants 3Jpp with R3 being alkyl group were lower than those with R3 being (substituted) phenyl,and this result was discussed.The preliminary bioassay showed that some of the compounds Ⅰ and Ⅱhave better activities against tobacco mosaic virus (TMV).The inhibitory was higher than that of DHT (2,4-dioxyhexahydro-1,3,5-triazine).In addition,some of the compounds showed the activity against cancer cells.

An Improved Synthesis of Retinoic Acid from β-Ionone

A convenient and large-scale preparation of retinoic acid 1 from β-ionone in five steps with 38% overall yield is described. The key steps are the epoxidization of 2 with a new methylated agent and the condensation 4 with tetraethyl methylenediphophonate in one-pot procedure to prepare 6.

Probing the dynamic thermodynamic resolution and biological activity of Cu(Ⅱ) and Pd(Ⅱ) complexes with Schiff base ligand derived from proline

Schiff base metal complexes are of great importance in pharmaceutical science owing to their unique chemical properties, which enable them to exhibit diverse biological activities such as anti-bacterial,anti-oxidant, anti-inflammatory, and anti-tumor properties. Furthermore, Schiff base metal complexes can serve as reagents and catalysts in chemical reactions. This review aims to provide an overview of our recently published studies on Cu(Ⅱ) and Pd(Ⅱ) complexes derived from proline Schiff base ligands. We also discuss the potential applications of these metal complexes in the fields of antibacterial and chiral resolution.

An Efficient Synthesis of Selective Human NR2A Antagonist NVP-AAM077

A short and efficient synthesis of the selective human N-methyl-D-aspartate （NMDA） receptor 2A （NR2A） antagonist NVP-AAM077 is described. The target was achieved in 8 steps and in 54% overall yield from the commercially available chemical 3-methylbenzene-1,2-diamine. A NaIO4/DMF-based oxidation of the bromide to corresponding aldehyde and an addition of phosphinic acid ester to the aldimine successfully served as the key steps.

Synthesis of organophosphoms derivatives of 2-aminoglucopyranose and their antitumor activities

<正> A series of novel N-[（p-substituted phenyl）dialkoxyphosphoryl]methyl-2-amino-2-deoxy-1,3,4,6-tetra-O-acetyl-β-D-glucopyranose 4 were synthesized by the addition reaction of the imines 3 with the phosphites.And through subsequent alcoholysis of compounds 4,new 2-aminoglucopyranose derivatives 5 were obtained.1HNMR and31P NMR spectra indicated that compounds 4 wre mixtures of diastereoisomers.Two’isomers,4 d’and 4i’,were isolated and purified by recrystalization,respectively.The molecular structure of the isomer 4i’wasdetermined by X-ray diffraction.Preliminary biological tests showed that some of these compounds possess inhib-iting activities agaimt L1 210and HL-60 cells in vitro and S-180 cancer in vivo.

绿原酸衍生物的制备及其活性研究进展

绿原酸是一种具有生物活性的水溶性酚类衍生物,然而其低脂溶特性限制了它的产业应用。通过分子修饰制备的绿原酸衍生物,能够显著提升其脂溶性且保留绿原酸本体的生物活性。本文综述以酰氯法为代表的化学法以及酯化法、酯交换法等酶法制备绿原酸衍生物的研究进展,讨论绿原酸衍生物常用的分离和纯化手段,并探讨近年来绿原酸衍生物的抗氧化、抗肿瘤、抗真菌和调节脂质代谢等生物活性的相关研究,总结现阶段绿原酸衍生物研究中存在的问题,并展望未来发展趋势和应用。

α-(5-四唑基)氨基烃基膦酸酯的合成及其生物活性

合成了 12个新的 5 氨基 1H 1,2 ,3,4 四唑的Schiff碱 ,而后与亚磷酸二乙酯反应 ,合成出了 12个新的含四唑基的α 氨基烃基膦酸酯 ,通过IR ,1 HNMR ,31 PNMR和元素分析证实了它们的结构 .生物活性实验证明 ,一些目标化合物具有良好的植物生长调节活性 ,其中氯代苯甲醛和吲哚甲醛的Schiff碱生成的α

含羟基、膦酸根水溶性膦配体的合成

以季盐 [Ph2 P( CH2 OH) 2 ]+Cl- 与含羟基的胺乙基膦酸衍生物温和条件的曼尼希反应 ,合成了含Ph2 PCH2 N配位基团的水溶性膦配体 Na2 O3 PCH2 CH2 N( CH2 PPh2 ) [CH2 CH2 N ( CH2 PPh2 ) ]n CH2 CH2 OH ( n=0 ,1 ) ,用 NMR、MS、IR对该膦配体的结构进行了表征 ,UV测定了其在水 /有机相体系中的分配系数 D。

水杨醛氨基酸席夫碱类α-氨基膦酸酯的合成及生物活性

利用水杨醛氨基酸席夫碱钾盐与亚磷酸二烷基酯的加成反应,合成了9个新型水溶性α-氨基膦酸酯化合物。其结构经IR、1H NMR、元素分析等测试技术进行了表征。结果表明,化合物f的初步生物活性测试显示,其具有良好的杀菌和促进植物生长活性。

氯·氨荒酸基·二丁基锡(Ⅳ)配合物的合成和性质

合成了 13种新的氯·氨荒酸基·二丁基锡 ?配合物 (n C4H9)2Sn(C1)S2CNRR′。通过元素分析、 IR、 UV、 1H NMR及 MS对这些配合物进行了表征，结果表明，氨荒酸基是以双齿形式与锡原子配位。初步生物活性测试表明，部分配合物具有较强的抗癌活性。

三苯基锗炔基膦酸酯的合成和表征(英文)

Twelve triphenylgermanium alkynyl phosphonates were synthesized by th e reaction of triphenylgermanium chloride with corresponding alkynyl phosphates￡(r)Their structures were characterized by elemental analysis,IR,1 H NMR and MS￡(r)The results showed that O￡-bis￡¨triphenylgermanium￡(c)alkynyl phosphonates contain both f our-and five-coordinated germanium atom an d that O-triphenylgermanium alkynyl phosphonates contain five-coordi nated germanium atom￡(r)

新型有机膦均聚物的合成及缓蚀性能的研究

利用三氯化磷、丙酮、冰乙酸合成了异丙烯膦酸（ＩＰＰＡ）单体，进一步制取了聚异丙烯膦酸，并对其缓蚀性能进行了评定。采用表面分析技术ＸＰＳ，ＡＥＳ，对聚异丙烯膦酸缓蚀机理进行了探讨。

α-(2-苯并噻唑氧基)烃基膦酸酯的合成性质和生物活性

α—芳(杂环)氧基羧酸衍生物是一类具有良好除草活性的化合物,近年来又发现含氮杂环氧基羧酸衍生物显示了更优异的除草活性,为了探索它们的含磷类似物的生物活性。

1-取代苯氧乙酰基-4-芳酰基氨基硫脲的合成及生物活性

A series of 1 substituted phenoxyacetyl 4 aroyl thiosemicarbazides were synthe sized by reaction of aroylisothiocyanate with (substituted)phenoxyacetic acid hydrazides under solid liquid phase transfer catalysis condition. The preliminary bioassay results showed that some of the compounds have good antibiotic activity and plant growth regulation activity. The compounds were characterized by elemental analysis, IR and 1H NMR.

N-(α-芳氧丙酰基)α-氨基膦酸二苯酯的合成与除草活性

通过芳氧丙酸与α-氨基膦酸二苯酯的缩合反应合成了 8个未见报道的目标化合物 ,利用红外光谱、核磁共振、质谱及元素分析确定了目标化合物的结构 ,初步的生物活性测定结果表明 ,目标化合物具有较好的除草活性 ,如化合物 Vg,在浓度为 10 mg/L下对单、双子叶植物的抑制率接近于 2 ,4 -

甲叉膦酸型化合物阻垢机理的量子化学研究

运用密度泛函(DFT)理论,在B3LYP/6-31G水平下,系统研究了ATMP,EDTMP,HDTMP,GDMP,MADMP这5种甲叉膦酸类阻垢缓蚀剂分子结构与阻垢性能之间的构效关系。结果表明,5种膦酸分子中的氮原子及膦羧基团中的氧原子上负电荷密度较大,这使得氮原子及膦羧基易与垢晶体中的钙离子发生静电相互作用,如果氮原子与氧原子间距与方解石晶体生长面上的钙离子对间距匹配,将显著增强了阻垢剂分子与特定晶面的Coul omb吸附行为,诱导垢晶体发生畸变,有效地阻止其生长。本文还利用半经验(PM3)方法对分子势能面进行扫描,得出分子能量随二面角改变的变化率,初步探讨了分子柔性、刚性对其阻垢性能的影响。