- Molecular rulers: New families of molecules for measuring interfacial widths
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Homologous series of solvatochromic neutral alcohols and ionic sulfates are synthesized and characterized. Each surfactant series consists of hydrophobic, p-nitroanisole-based chromophores attached to polar or ionic headgroups by n-alkyl spacers. UV absorption measurements show that the optical properties of surfactant chromophores closely track those of the parent chromophore. Interfacial tension measurements are used to calculate surface excess concentrations of ionic surfactants adsorbed to an aqueous-cyclohexane interface. With a hydrophobic chromophore, a hydrophilic headgroup, and a variable-length, alkyl spacer, these surfactants have the potential to function as molecular rulers: probes of molecular-scale variation in solvation forces across condensed-phase interfaces. Changing the separation between the hydrophobic, solvatochromic probe and the hydrophilic headgroup should enable different members of a homologous series to span different interfacial widths, thus exposing the chromophore to different chemical environments. This idea is explored by using surface-specific, nonlinear optical spectroscopy. Resonant second harmonic spectra of p-nitroanisole and the surfactant product 4a adsorbed to an aqueous-cyclohexane interface show the surfactant spectrum blue-shifted 9 nm relative to the spectrum of adsorbed p-nitroanisole. On the basis of chromophore solvatochromism, these results are consistent with a less polar environment surrounding the surfactant chromophore. Significant differences in interfacial solvation resulting from a ~5 A separation between the surfactant headgroup and chromophore support recently proposed models of molecularly sharp, microscopically flat aqueous-alkane interfaces.
- Steel, William H.,Damkaci, Fehmi,Nolan, Ryan,Walker, Robert A.
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Read Online
- Design, synthesis, biological evaluation and molecular docking studies of novel 3-aryl-4-anilino-2H-chromen-2-one derivatives targeting ERα as anti-breast cancer agents
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The estrogen receptor (ER) has played an important role in breast cancer development and progression and is a central target for anticancer drug discovery. In order to develop novel selective ERα modulators (SERMs), we designed and synthesized 18 novel 3-aryl-4-anilino-2H-chromen-2-one derivatives based on previously reported lead compounds. The biological results indicated that most of the compounds presented potent ERα binding affinity and possessed better anti-proliferative activities against MCF-7 and Ishikawa cell lines than the positive control tamoxifen. The piperidyl substituted compounds such as 16d and 18d demonstrated strong ERα binding affinities and excellent anti-proliferative activities respectively. Compound 18d displayed the most potent ERα binding affinity with RBA value of 2.83%, while 16d exhibited the best anti-proliferative activity against MCF-7 cells with IC50 value of 4.52?±?2.47?μM. Further molecular docking studies were also carried out to investigate binding pattern of the newly synthesized compounds with ERα. All these results together with the structure–activity relationships (SARs) indicated that these 3-aryl-4-anilino-2H-chromen-2-one derivatives with basic side chain could serve as promising leads for further optimization as novel SERMs.
- Luo, Guoshun,Chen, Mingqi,Lyu, Weiting,Zhao, Ruheng,Xu, Qian,You, Qidong,Xiang, Hua
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Read Online
- Solvent polarity across weakly associating interfaces
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Molecular ruler surfactants, solvatochromic probes of solvent polarity, have been used to examine changes in solvent polarity across weakly associating liquid/liquid interfaces. The water/alkane interfaces were formed between an aqueous subphase and either cyclic (cyclohexane and methylcyclohexane) or linear (octane and hexadecane) alkanes. Resonance-enhanced second-harmonic generation was used to collect effective excitation spectra of species adsorbed to these interfaces. As surfactants lengthened, the surfactant probe sampled an increasingly nonpolar environment as evidenced by an excitation wavelength that shifted toward the alkane limit. Data suggest that all four water/alkane interfaces are molecularly sharp (9 Aì?), but that differences in the solvent molecular structure alter the transition from aqueous to organic solvation across the interface. Polarity across two interfaces (cyclohexane and hexadecane) changes gradually over the distance spanned by ruler surfactants. In contrast, the transitions at the interfaces between water and methylcyclohexane and octane appear much more abrupt. These findings appear to correlate with each organic solvent's ability to pack and associated free volume. More free volume in the organic phase leads to a more abrupt water/alkane interface. Results are interpreted on the basis of recent molecular dynamics simulations examining polarity at different water/monolayer interfaces.
- Steel, William H.,Lau, Yuen Y.,Beildeck, Carmen L.,Walker, Robert A.
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Read Online
- COMPOUNDS TARGETING RNA-BINDING PROTEINS OR RNA-MODIFYING PROTEINS
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The invention relates to a compound represented by Formula (I): or a pharmaceutically acceptable salt thereof, compositions comprising the same and methods of preparing and using the same. The variables are described herein.
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Page/Page column 103; 104
(2021/09/11)
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- Synthetic and Mechanistic Studies on 2,3-Dihydrobenzo[ b ][1,4]-oxaselenines Formation from Selenocyanates
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An expedient preparation of selenium-containing hetero-cycles via an m -chloroperbenzoic acid-mediated seleno-annulation starting from selenocyanate derivatives is described. In spite of its significance, this cyclization reaction is virtually understudied not only from the point of view of its scope, but also from the mechanistic aspects associated to this remarkable transformation. In this sense, several selenocyanate and thiocyanate derivatives bearing an aromatic ring were evaluated as substrates under different reaction conditions of this interesting cyclization yielding important insights on its scope as well as relevant information on the reaction mechanism.
- Bonesi, Sergio M.,Cattaneo, Mauricio,Chao, María N.,Rodriguez, Juan B.,Sanchez Gonzalez, Jonathan,Szajnman, Sergio H.
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p. 1643 - 1658
(2020/05/25)
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- Design, synthesis, and biological evaluation of some novel 4-aminoquinazolines as Pan-PI3K inhibitors
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A series of 4-aminoquinazolines derivatives containing hydrophilic group were designed and identified as potent Pan-PI3K inhibitors in this study. The results of antiproliferative assays in vitro showed that this series of compounds had strong inhibition of tumor growth, especially compound 7b for MCF-7 cells but weak inhibition to normal cells. PI3K kinase assay showed that 7b had high activity for three PI3K isoforms with the IC50 values of picomole. The western blot assay indicated that 7b could decrease the phospho-Akt (S473) in a dose-dependent manner. Further experiments showed that 7b could induce apoptosis in MCF-7 cells. Four key hydrogen bonding interactions were found in the docking of 7b with PI3K kinase. All these results suggested that 7b is a potent PI3K inhibitor and could be considered as a potential candidate for the development of anticancer agents.
- Ding, Huai-Wei,Wang, Shu,Qin, Xiao-Chun,Wang, Jian,Song, Hong-Rui,Zhao, Qing-Chun,Song, Shao-Jiang
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p. 2729 - 2740
(2019/05/17)
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- Revisiting Hydroxyalkylation of Phenols with Cyclic Carbonates
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Described is a tetrabutylammonium fluoride-mediated hydroxyalkylation reaction of phenols with cyclic carbonates. This operationally simple method enables the synthesis of a variety of aryl β-hydroxyethyl ethers in good to excellent yields with a very small amount of catalyst loading (0.1–1 mol%). Of particular note is the efficient conversion of aromatic diols and phloroglucinol to the corresponding bis- and tris-hydroxyethylated products. To further showcase the versatility of this protocol, guaifenesin was prepared with a single step by the condensation of guaiacol and glycerol carbonate. We also developed a flow ethoxylation process permitting the continuous synthesis of multiflorol. (Figure presented.).
- Kao, Shih-Chieh,Lin, Yi-Ching,Ryu, Ilhyong,Wu, Yen-Ku
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supporting information
p. 3639 - 3644
(2019/07/10)
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- Further insights of selenium-containing analogues of WC-9 against Trypanosoma cruzi
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As a continuation of our project aimed at searching for new chemotherapeutic agents against American trypanosomiasis (Chagas disease), new selenocyanate derivatives were designed, synthesized and biologically evaluated against the clinically more relevant dividing form of Trypanosoma cruzi, the etiologic agent of this illness. In addition, in order to establish the role of each part of the selenocyanate moiety, different derivatives, in which the selenium atom or the cyano group were absent, were conceived, synthesized and biologically evaluated. In addition, in order to study the optimal position of the terminal phenoxy group, new regioisomers of WC-9 were synthesized and evaluated against T. cruzi. Finally, the resolution of a racemic mixture of a very potent conformationally rigid analogue of WC-9 was accomplished and further tested as growth inhibitors of T. cruzi proliferation. The results provide further insight into the role of the selenocyanate group in its antiparasitic activity.
- Chao, María N.,Lorenzo-Ocampo, María V.,Szajnman, Sergio H.,Docampo, Roberto,Rodriguez, Juan B.
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p. 1350 - 1361
(2019/02/25)
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- Synthesis and biological evaluation of morpholine-substituted diphenylpyrimidine derivatives (Mor-DPPYs) as potent EGFR T790M inhibitors with improved activity toward the gefitinib-resistant non-small cell lung cancers (NSCLC)
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Potential new EGFRT790M inhibitors comprised of structurally modified diphenylpyrimidine derivatives bearing a morpholine functionality (Mor-DPPYs) were used to improve the activity and selectivity of gefitinib-resistant non-small cell lung cancer (NSCLC) treatment. This led to the identification of inhibitor 10c, which displayed high activity against EGFRT790M/L858R kinase (IC50?=?0.71?nM) and repressed H1975?cell replication harboring EGFRT790M mutations at a concentration of 0.037?μM. Inhibitor 10c demonstrated high selectivity (SI?=?631.9) for T790M-containing EGFR mutants over wild type EGFR, suggesting that it will cause less side effects. Moreover, this compound also shows promising antitumor efficacy in a murine EGFRT790M/L858R-driven H1975 xenograft model without affecting body weight. This study provides new potential lead compounds for further development of anti-NSCLC drugs.
- Song, Zhendong,Huang, Shanshan,Yu, Haiqing,Jiang, Yu,Wang, Changyuan,Meng, Qiang,Shu, Xiaohong,Sun, Hunjun,Liu, Kexin,Li, Yanxia,Ma, Xiaodong
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p. 329 - 339
(2017/04/11)
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- Synthesis and evaluation of novel F-18-labeled pyrimidine derivatives: Potential FAK inhibitors and PET imaging agents for cancer detection
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Based on computer-assisted drug design, a series of novel pyrimidine derivatives was successfully synthesized and characterized by 1H NMR, 13C HNMR, and MS spectra. All the new compounds were evaluated for their activity against focal adhesion kinase and showed low IC50 values in comparison with control drugs. In particular, for compound 8i, its IC50 value was 0.060 μM, suggesting its advantage as a focal adhesion kinase inhibitor. To evaluate the potentiality of these compounds as PET imaging agents in cancer detection, compounds 8a, 8c, 8h, and 8i were successively labeled with 18F. The four 18F-labeled pyrimidine derivatives showed appropriate log P values and high stability in physiological saline and mouse plasma. Noticeably, compound [18F]-8a with a 4-methoxyl group at the benzene ring exhibited good in vivo biodistribution data in mice bearing the S180 tumor, which promoted a further microPET imaging study of compound [18F]-8a. The microPET image of [18F-8a] administered into the S180 tumor-bearing mice acquired at 60 min post-injection illustrated that the uptake in S180 tumor was obvious. These results suggested that compound [18F]-8a might be a new probe for PET tumor imaging.
- Wang, Dawei,Fang, Yu,Wang, Hang,Xu, Xingyu,Liu, Jianping,Zhang, Huabei
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p. 22388 - 22399
(2017/07/10)
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- NOVEL AROMATIC COMPOUND AND USE THEREOF
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Provided is a compound showing a bone formation promoting action (and/or bone resorption suppressive action). A compound of the formula (I) or a pharmacologically acceptable salt: [wherein each substituent is as defined in the DESCRIPTION], has low toxicity, shows good pharmacokinetics, has an action to promote bone formation, and is useful for the prophylaxis or To treatment of metabolic bone diseases (osteoporosis, fibrous osteitis (hyperparathyroidism), osteomalacia, Paget's disease that influences the systemic bone metabolism parameter etc.) associated with a decrease in the bone formation ability as compared to the bone resorption capacity.
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Paragraph 0482-0484
(2016/08/17)
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- Novel pazopanib derivatives and pharmaceutical composition comprising the same
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The present invention relates to novel pazopanib derivatives or a salt thereof having inhibition activities of angiogenesis and epidermal growth factors at the same time, and to a pharmaceutical composition comprising the same as an active ingredient. The pazopanib derivatives have inhibition activities of angiogenesis and epidermal growth factors at the same time unlike pazopanib, thereby more effectively treating and preventing EGFR-related cancer diseases such as lung cancer, colon cancer or breast cancer through a multiple aim target, and effectively treating and preventing non-small-cell lung cancer which Iressa or Tarceva cannot have an effect on.COPYRIGHT KIPO 2017
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Paragraph 0058; 0060; 0061; 0062; 0063; 0064
(2017/05/10)
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- Method for preparing initiating agent monomer containing azobenzene structure
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The invention discloses an azobenzene compound and a synthesis method thereof.The synthesis method in the technical scheme includes the steps that 4-nitrophenol, halohydrin and potassium hydroxide serve as raw materials to synthesize p-nitrobenzene oxygen alcohol; the p-nitrobenzene oxygen alcohol, iron powder and ammonium chloride are reacted to obtain p-aminophenyl oxygen alcohol; a typical diazo coupling reaction is carried out to obtain solid product 4-acrylic acid (N-methyl amino) ethyl alcohol-4'-aminoethanol-azobenzene; the products, 2-bromoisobutyryl bromide and triethylamine are reacted to obtain the final product 4-acrylic acid (N-methyl amino) ethyl alcohol-4'-bromoisobutyric acid alcohol ester base-azobenzene, and washing and vacuum drying are carried out.The azo compound contains azobenzene photochromic groups, carbon-carbon double bonds and active-tail-end bromine atoms at the same time, can serve as a self-trigger monomer to synthesize branched polymers containing the functional azobenzene structures with the atom transfer radical polymerization (ATRP) method, and has potential application photoresponse polymers.
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Paragraph 0032
(2017/01/17)
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- Toward the Rational Design of Galactosylated Glycoclusters That Target Pseudomonas aeruginosa Lectin A (LecA): Influence of Linker Arms That Lead to Low-Nanomolar Multivalent Ligands
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Anti-infectious strategies against pathogen infections can be achieved through antiadhesive strategies by using multivalent ligands of bacterial virulence factors. LecA and LecB are lectins of Pseudomonas aeruginosa implicated in biofilm formation. A series of 27 LecA-targeting glycoclusters have been synthesized. Nine aromatic galactose aglycons were investigated with three different linker arms that connect the central mannopyranoside core. A low-nanomolar (Kd=19 nm, microarray) ligand with a tyrosine-based linker arm could be identified in a structure–activity relationship study. Molecular modeling of the glycoclusters bound to the lectin tetramer was also used to rationalize the binding properties observed.
- Wang, Shuai,Dupin, Lucie,No?l, Mathieu,Carroux, Cindy J.,Renaud, Louis,Géhin, Thomas,Meyer, Albert,Souteyrand, Eliane,Vasseur, Jean-Jacques,Vergoten, Gérard,Chevolot, Yann,Morvan, Fran?ois,Vidal, Sébastien
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supporting information
p. 11785 - 11794
(2016/08/05)
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- Synthesis and biological evaluation of azole-diphenylpyrimidine derivatives (AzDPPYs) as potent T790M mutant form of epidermal growth factor receptor inhibitors
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A series of novel azole-diphenylpyrimidine derivatives (AzDPPYs) were synthesized and biologically evaluated as potent EGFRT790Minhibitors. Among these analogues, the most active inhibitor 6e not only displayed high activity against EGFRT790M/L858Rkinase (IC50?=?3.3?nM), but also was able to repress the replication of H1975 cells harboring EGFRT790Mmutation at a concentration of 0.118?μmol/L. In contrast to the lead compound rociletinib, 6e slightly reduces the key EGFRT790M-minduced drug resistance. Significantly, inhibitor 6e demonstrates high selectivity (SI?=?299.3) for T790M-containing EGFR mutants over wild type EGFR, hinting that it will cause less side effects.
- Song, Zhendong,Jin, Yue,Ge, Yang,Wang, Changyuan,Zhang, Jianbin,Tang, Zeyao,Peng, Jinyong,Liu, Kexin,Li, Yanxia,Ma, Xiaodong
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p. 5505 - 5512
(2016/10/24)
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- HETEROARYL COMPOUNDS AND USES THEREOF
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The present invention provides compounds, pharmaceutically acceptable compositions thereof, and methods of using the same. Compounds of the present invention, and pharmaceutically acceptable compositions thereof, are useful for treating a variety of diseases, disorders or conditions, associated with abnormal cellular responses triggered by protein kinase-mediated events. Compounds provided by this invention are also useful for the study of kinases in biological and pathological phenoma, the study of intracellular signal transduction pathways mediated by such kinases and the comparative evaluation of new kinase inhibitors.
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Paragraph 0199
(2016/02/20)
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- HETEROARYL COMPOUNDS AND USES THEREOF
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The present invention provides compounds, pharmaceutically acceptable compositions thereof, and methods of using the same.
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Paragraph 0622-0623
(2015/07/02)
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- Synthesis and evaluation of a novel class Hsp90 inhibitors containing 1-phenylpiperazine scaffold
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Previously, we identified 1-(2-(4-bromophenoxy)ethoxy)-3-(4-(2- methoxyphenyl)piperazin-1-yl)propan-2-ol (1) as a novel Hsp90 inhibitor with moderate activity through virtual screening. In this study, we report the optimization process of 1. A series of analogues containing the 1-phenylpiperazine core scaffold were synthesized and evaluated. The structure-activity relationships (SAR) for these compounds was also discussed for further molecular design. This effort afforded the most active inhibitor 13f with improved activity in not only target-based level, but also cell-based level compared with the original hit 1.
- Jia, Jian-Min,Liu, Fang,Xu, Xiao-Li,Guo, Xiao-Ke,Jiang, Fen,Cherfaoui, Bahidja,Sun, Hao-Peng,You, Qi-Dong
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supporting information
p. 1557 - 1561
(2014/03/21)
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- Controlled synthesis of azobenzene functionalized homo and copolymers via direct acyclic diene metathesis polymerization
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A powerful and efficient strategy for obtaining a series of azobenzene functionalized linear unsaturated polyolefins is described, which involves the first design and synthesis of three different α,ω-diene monomers with different reactivity of acrylates and terminal double bonds and their subsequent acyclic diene metathesis (ADMET) polymerization under mild reaction conditions. Different ruthenium based metathesis catalysts and conditions were tested to optimize the ADMET polymerization of these monomers. Besides, this polycondensation method is also reported allowing for the synthesis of alternating and diblock azobenzene-containing copolymers with molecular weight control by using the selectivity of olefin cross-metathesis between acrylates and terminal olefins. The resulting polymers showed well-defined molecular weights, reasonable polydispersity index, and reversible photoresponsive behavior. This special combination of the benefits of metathesis polymerization and azobenzene is a highly versatile system for materials in many applications.
- Ding, Liang,Xu, Mengyu,Wang, Jingjing,Liao, Yang,Qiu, Jun
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p. 1681 - 1687
(2014/04/03)
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- HETEROARYL COMPOUNDS AND USES THEREOF
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The present invention provides compounds, pharmaceutically acceptable compositions thereof, and methods of using the same.
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Paragraph 0439; 0440
(2014/07/08)
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- Star mesogens-Synthesis and structural characterization using 1D and 2D solution NMR techniques and mesophase characterization
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Novel star mesogens based on trimesic acid and symmetrical side arm cores with terminal alkoxy groups were synthesized via a divergent approach. The central core and side arms were connected through alkyl spacers. All the synthesized mesogens and their intermediates were characterized thoroughly using Fourier transform infrared (FT-IR), 1H nuclear magnetic resonance (NMR), 13C NMR, and mass spectrometers. One representative mesogen was subjected to the two-dimensional (2D) NMR experiments to ascertain the structure of the mesogens. The mesophase characterization was carried out using hot-stage optical polarizing microscopy (HOPM), differential scanning calorimetry (DSC), and X-ray diffraction (XRD) techniques. Many of the molecules with an ethyloxy spacer were found to be nonmesogenic, whereas all the molecules with a butyloxy spacer showed liquid crystalline phases. The increase of terminal chain length decreased the transition temperatures. The nematic phase was observed for the mesogens with short terminal chain length, whereas smectic polymorphism was observed on increasing the terminal chain length. The results of a variable temperature powder X-ray diffraction of the representative sample support the smectic layer ordering.
- Shanavas,Narasimhaswamy,Phani Kumar,Sultan Nasar
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p. 196 - 205
(2013/05/09)
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- HETEROARYL COMPOUNDS AND USES THEREOF
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The present invention provides compounds, pharmaceutically acceptable compositions thereof, and methods of using the same.
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Paragraph 00197; 00198
(2013/06/27)
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- The inhibition of monoamine oxidase by 8-(2-phenoxyethoxy)caffeine analogues
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Previous studies have documented that substituted 8-oxycaffeines act as inhibitors of human monoamine oxidase (MAO) B. A particularly potent inhibitor among the reported compounds was 8-(2-phenoxyethoxy)caffeine with an IC 50 value of 0.383M towards MAO-B. In an attempt to improve on the inhibition potency of this compound and to discover highly potent reversible MAO-B inhibitors, in the present study, a series of 8-(2-phenoxyethoxy)caffeine analogues containing various substituents on C4 of the phenoxy ring, were synthesized and evaluated as inhibitors of human MAO-A and -B. The results show that the 8-(2-phenoxyethoxy)caffeine analogues are selective and reversible MAO-B inhibitors with the most potent homologue, 8-{2-[4-(trifluoromethyl) phenoxy]ethoxy}caffeine, exhibiting an IC50 value of 0.061μM. These highly potent inhibitors are useful leads in the design of therapies for neurodegenerative disorders such as Parkinsons disease. Georg Thieme Verlag KG Stuttgart New York.
- Strydom,Bergh,Petzer
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p. 513 - 518
(2013/01/15)
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- Alkoxylation of 4-chloronitrobenzene with aliphatic alcohols and glycols in the presence of NaOH
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The reaction of 4-chloronitrobenzene with aliphatic C1-n-C 4 alcohols and with mono-, di-, and triethylene glycols in the presence of NaOH in liquid ammonia at 15-50°C was studied.
- Malykhin, E. V.,Shteingarts, V. D.
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p. 1232 - 1238,7
(2020/09/09)
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- Synthesis and biological evaluation of new 4β-anilino-4′-O- demethyl-4-desoxypodophyllotoxin derivatives as potential antitumor agents
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A series of new 4β-anilino-4′-O-demethyl-4-desoxypodophyllotoxin derivatives were prepared and evaluated for their cytotoxicities against four human cancer cell lines including KB, KB/VCR, A549 and 95D. Most compounds showed better growth-inhibition activities against tested cell lines than that of etoposide (VP-16). Preliminary structure-activity relationships (SARs) were concluded and it indicated that the side chains substituted at 4β position of podophyllotoxin significantly influenced the cytotoxic activity, especially for the drug resistance profile. In vivo studies of compound 26c on highly metastatic human lung cancer xenograft in nude mice showed that it can significantly inhibit tumor growth with administrating by oral route.
- Wang, Li,Yang, Fenyan,Yang, Xiaochun,Guan, Xianghong,Hu, Chunqi,Liu, Tao,He, Qiaojun,Yang, Bo,Hu, Yongzhou
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scheme or table
p. 285 - 296
(2011/03/17)
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- Design, synthesis and biological characterization of novel inhibitors of CD38
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Human CD38 is a novel multi-functional protein that acts not only as an antigen for B-lymphocyte activation, but also as an enzyme catalyzing the synthesis of a Ca2+ messenger molecule, cyclic ADP-ribose, from NAD+. It is well established that this novel Ca2+ signaling enzyme is responsible for regulating a wide range of physiological functions. Based on the crystal structure of the CD38/NAD+ complex, we synthesized a series of simplified N-substituted nicotinamide derivatives (Compound1-14). A number of these compounds exhibited moderate inhibition of the NAD+ utilizing activity of CD38, with Compound4 showing the highest potency. The crystal structure of CD38/Compound4 complex and computer simulation of Compound7 docking to CD38 show a significant role of the nicotinamide moiety and the distal aromatic group of the compounds for substrate recognition by the active site of CD38. Biologically, we showed that both Compounds4 and 7 effectively relaxed the agonist-induced contraction of muscle preparations from rats and guinea pigs. This study is a rational design of inhibitors for CD38 that exhibit important physiological effects, and can serve as a model for future drug development.
- Dong, Min,Si, Yuan-Qi,Sun, Shuang-Yong,Pu, Xiao-Ping,Yang, Zhen-Jun,Zhang, Liang-Ren,Zhang, Li-He,Leung, Fung Ping,Lam, Connie Mo Ching.,Kwong, Anna Ka Yee,Yue, Jianbo,Zhou, Yeyun,Kriksunov, Irina A.,Hao, Quan,Cheung Lee, Hon
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experimental part
p. 3246 - 3257
(2011/06/10)
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- NOVEL ANTIDIABETIC COMPOUNDS
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The present invention provides novel compounds of the general formula (I), wherein the symbols are same as described in specification, their pharmaceutically acceptable salts, their tautomeric forms, their stereoisomers, pharmaceutical compositions containing them, to process and intermediates for the preparation of the above said compounds, having the utility of these compounds in medicine and to methods for their therapeutic use, and their use in the treatment of diabetes and related diseases.
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Page/Page column 61-62
(2010/11/29)
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- PIGMENT DISPERSIONS WITH POLYMERIC DISPERSANTS HAVING PENDING CHROMOPHORE GROUPS
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A pigment dispersion comprising a colour pigment and a polymeric dispersant having at least one pending chromophore group covalently bound to the polymeric backbone of the polymeric dispersant through a linking group wherein the colour pigment is selected from the group consisting of monoazo pigments, disazo pigments, β-naphtol pigments, naphtol AS pigments, azo pigment lakes, benzimidazolone pigments, disazo condensation pigments, metal complex pigments, isoindolinone pigments, isoindolinine pigments, phthalocyanine pigments, quinacridone pigments, diketopyrrolo-pyrrole pigments, thioindigo pigments, anthraquinone pigments, anthrapyrimidine pigments, indanthrone pigments, flavanthrone pigments, pyranthrone pigments, anthanthrone pigments, isoviolanthrone pigments, aluminium pigment lakes, dioxazine pigments, triarylcarbonium pigments and quinophthalone pigments; the at least one pending chromophore group has a molecular weight which is smaller than 85 % of the molecular weight of the colour pigment; the at least one pending chromophore group occurs as a side group on the polymeric backbone and not as a group in the polymeric backbone itself or occurring solely as an end group of the polymeric backbone; the linking group consists of all the atoms between the polymeric backbone and the first atom of the aromatic group by which the pending chromophore group is linked to the polymeric backbone; and the at least one pending chromophore group has a similarity coefficient SIM of at least 0.75, with the similarity coefficient defined by (I) wherein, M represents the number of atoms in the at least one pending chromophore group; P represents the number of atoms in the colour pigment; C represents the largest number of atoms in common between the at least one pending chromophore group and the colour pigment as one continuous structure; and t is an integer representing the number of times that the largest number of atoms in common C fits into the organic colour pigment, without using atoms of the colour pigment twice. A method for preparing the pigment dispersion wherein the polymeric dispersant is prepared by copolymerizing a monomer already containing the pending chromophore group is also disclosed.
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Page/Page column 44-45
(2010/11/25)
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- PIGMENT DISPERSIONS WITH POYMERIC DISPERSANTS HAVING PENDING CHROMOPHORE GROUPS
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A pigment dispersion comprising a colour pigment represented by formula (I) wherein, X1 to X4 are independently selected from the group consisting of hydrogen and a halogen atom, R1 to R10 are independently selected from the group consisting of hydrogen, a halogen atom, a methyl group, an ethyl group, a methoxy group, and an ethoxy group, and a polymeric dispersant having via a linking group covalently linked to its polymeric backbone at least one pending chromophore group which has a molecular weight smaller than 90% of the molecular weight of the colour pigment, wherein the at least one pending chromophore group is a chromophore group occurring as a side group on the polymeric backbone and not a group in the polymeric backbone itself or occurring solely as an end group of the polymeric backbone, and the at least one pending chromophore group is represented by formula (II) wherein, one of L1, L2 or L3 is the linking group and is selected from the group consisting of an aliphatic group, a substituted aliphatic group, an unsaturated aliphatic group and a substituted unsaturated aliphatic group; L1, L2 and/or L3, if not representing the linking group, are independently selected from the group consisting of hydrogen, an alkyl group, an alkenyl group, an alkoxy group, a carboxylic acid group, an ester group, an acyl group, a nitro group and a halogen; AR1 and AR2 represent an aromatic group; and n represents the integer 0 or 1. The pigment dispersion can be advantageously used in inkjet inks. Also disclosed are methods for preparing the inkjet ink.
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Page/Page column 42-43
(2010/11/25)
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- PIGMENT DISPERSIONS WITH POLYMERIC DISPERSANTS HAVING PENDING CHROMOPHORE GROUPS.
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A pigment dispersion comprising a colour pigment represented by formula (I) wherein, R1 is selected from the group consisting of hydrogen, a halogen atom, a methyl group, an ethyl group, a methoxy group, an ethoxy group, -CF3 , -COOH, -COOCH3 and; R2, R4 and R5 are independently selected from the group consisting of hydrogen, a halogen atom, a methyl group, an ethyl group, a methoxy group, an ethoxy group,-CF3 , -COOH and -COOCH3; R3 is selected from the group consisting of hydrogen, a halogen atom, a methyl group, an ethyl group, a methoxy group, an ethoxy group,-CF3, -COOH, -COOCH3, -SO2NH-C6H5, -CONH-C6H5, -CONH-C6H5-CONH2 and -CONH2 ; R6 and R7 are independently selected from the group consisting of hydrogen, a halogen atom, a methyl group, an ethyl group, a methoxy group, an ethoxy group,- CF3 , -COOH and -COOCH3, or R6 and R7 represent the necessary atoms to form an imidazolone ring; and a polymeric dispersant having via a linking group covalently linked to its polymeric backbone at least one pending chromophore group which has a molecular weight smaller than 95% of the molecular weight of said colour pigment. The pigment dispersion can be advantageously used in inkjet inks.
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Page/Page column 46-47
(2010/11/25)
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- PIGMENT DISPERSIONS WITH POLYMERIC DISPERSANTS HAVING PENDING CHROMOPHORE GROUPS.
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A pigment dispersion comprising a colour pigment represented by formula (I) wherein, R1 to R10 are independently selected from the group consisting of hydrogen, a halogen atom, a methyl group, an ethyl group, a methoxy group, an ethoxy group, - CF3 , -COOH, -COOCH3; -SO2NH-C6H5, -CONH-C6H5, -CONH-C6H5-CONH2 and -CONH2; and a polymeric dispersant having via a linking group covalently linked to its polymeric backbone at least one pending chromophore group which has a molecular weight smaller than 95% of the molecular weight of said colour pigment. The pigment dispersion can be advantageously used in inkjet inks.
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(2010/11/25)
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- PIGMENT DISPERSIONS WITH POLYMERIC DISPERSANTS HAVING PENDING CHROMOPHORE GROUPS.
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A pigment dispersion comprising a colour pigment and a polymeric dispersant having at least one pending chromophore group covalently bound to the polymeric backbone of the polymeric dispersant through a linking group wherein the at least one pending chromophore group is a derivative from a colour pigment selected from the group consisting of monoazo pigments, disazo pigments, β-naphtol pigments, naphtol AS pigments, azo pigment lakes, benzimidazolone pigments, disazo condensation pigments, metal complex pigments, isoindolinone pigments, isoindolinine pigments, phthalocyanine pigments, quinacridone pigments, diketopyrrolo-pyrrole pigments, thioindigo pigments, anthraquinone pigments, anthrapyrimidine pigments, indanthrone pigments, flavanthrone pigments, pyranthrone pigments, anthanthrone pigments, isoviolanthrone pigments, aluminium pigment lakes, dioxazine pigments, triarylcarbonium pigments and quinophthalone pigments; the at least one pending chromophore group is a chromophore group occurring as a side group on the polymeric backbone and not a group in the polymeric backbone itself or occurring solely as an end group of the polymeric backbone; the linking group consists of all the atoms between the polymeric backbone and the first atom of the aromatic group by which the pending chromophore group is linked to the polymeric backbone; the polymeric dispersant has a polymeric backbone with a polymerization degree between 5 and 1000; and at most 30 % of the monomer units of the polymeric backbone have a pending chromophore group. The pigment dispersion can be advantageously used in inkjet inks. Also disclosed is a method for preparing the pigment dispersion comprising the step of preparing the polymeric dispersant by copolymerizing a monomer already containing the pending chromophore group.
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- 4′-Alkoxyl substitution enhancing the anti-mitotic effect of 5-(3′,4′,5′-substituted)anilino-4-hydroxy-8-nitroquinazolines as a novel class of anti-microtubule agents
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Mitosis inhibitors are powerful anticancer drugs. Based on a novel anti-microtubule agent of 5-(4′-methoxy)anilino-4-hydroxy-8-nitroquinazoline, a series of 5-(3′,4′,5′-substituted)anilino-4-hydroxy-8- nitroquinazolines were designed and synthesized to investigate the effect of the substitution on the inhibitory activity against mitotic progression of tumor cells. The large alkoxyl substitution on the 4′-position of 5-anilino ring is beneficial for the potency. The 5-(3′,4′,5′-trimethoxy)anilino-8-nitroquinazoline (1h) displays an overwhelming activity in arresting the cells at the G2/M phase, providing a promising new template for further development of potent microtubule-targeted anti-mitotic drugs.
- Jin, Yi,Zhou, Zu-Yu,Tian, Wei,Yu, Qiang,Long, Ya-Qiu
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p. 5864 - 5869
(2007/10/03)
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- Fused pyrrolecarboxamides: GABA brain receptor ligands
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Substituted pyrrolecarboxamide compounds are disclosed. These compounds are highly selective agonists, antagonists or inverse agonists for GABAA brain receptors or prodrugs of agonists, antagonists or inverse agonists for GABAA brain receptors and are therefore useful in the diagnosis and treatment of anxiety, depression, Alzheimer's dementia, sleep and seizure disorders, overdose with benzodiazepine drugs and for enhancement of memory. Pharmaceutical compositions, including packaged pharmaceutical compositions, are further provided. Compounds of the invention are also useful as probes for the localization of GABAA receptors in tissue samples.
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(2008/06/13)
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- 4-HYDROXYQUINOLINE-3-CARBOXAMIDES AND HYDRAZIDES AS ANTIVIRAL AGENTS
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The present invention provides 4-hydroxyquinoline-3-carboxamide and hydrazide compounds of formula I These compounds are useful to treat or prevent the herpesviral infections, particularly, human cytomegaloviral infection.
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(2010/02/13)
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- BENZAZEPINE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE
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The present invention provides a novel benzazepine derivative represented by formula : wherein, R1 is a 5- or 6-membered aromatic ring, R2 is lower alkyl group, etc., Y is an optionally substituted imino group, ring A and ring B are independently an optionally substituted aromatic ring, W is formula -W1-X2-W2- (W1 and W2 are independently S(O)m1 (m1 is 0, 1 or 2), etc., and X2 is an optionally substituted alkylene groupetc. ), a preparation method and use thereof.
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- Influence of ethylene-oxy spacer group on the activity of linezolid: Synthesis of potent antibacterials possessing a thiocarbonyl group
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The influence of an ethylene-oxy spacer element between the heterocycle and the aromatic ring in linezolid is reported. The introduction of such spacer group generated compounds with inferior antibacterial activity. However, the conversion of the acetamide group present in the linezolid analogues to either thiocarbamate or thioacetamide functionality restored the activity. The synthesis of linezolid analogues possessing the ethylene-oxy spacer group along with SAR studies with different heterocycles and preparation of some thiocarbonyl compounds possessing potent antibacterial property are presented.
- Selvakumar,Raheem, Mohammed A.,Khera, Manoj Kumar,Rajale, Trideep V.,Kumar, Magadi Sitaram,Kandepu, Sreenivas,Das, Jagattaran,Rajagopalan,Iqbal, Javed,Trehan, Sanjay
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p. 4169 - 4172
(2007/10/03)
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- Novel aryl substituted tetrahydroindazoles as ligands of the GABA receptor
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Disclosed are compounds of the formula 1 and the pharmaceutically acceptable salts thereof wherein the variables R1, R2, R3, n, and Ar are defined herein. These compounds are highly selective agonists, antagonists or inverse agonists for GABAA brain receptors or prodrugs of agonists, antagonists or inverse agonists for GABAA brain receptors and are therefore useful in the diagnosis and treatment of anxiety, depression, Down Syndrome, sleep and seizure disorders, overdose with benzodiazepine drugs and for enhancement of memory.
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- Substituted fused pyrroleoximes and fused pyrazoleoximes
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Disclosed are compounds of the formula and the pharmaceutically acceptable salts thereof wherein R, Ar, A, n, R1 and R2 are defined herein. These compounds are highly selective agonists, antagonists or inverse agonists for GABAA brain receptors or prodrugs of agonists, antagonists or inverse agonists for GABAA brain receptors and are therefore useful in the diagnosis and treatment of anxiety, depression, Down Syndrome, sleep and seizure disorders, overdose with benzodiazepine drugs and for enhancement of memory. Pharmaceutical compositions, including packaged pharmaceutical compositions, are also disclosed.
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- Synthesis of analogs of juvenile hormons proceeding from phenol derivatives
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New potential juvenoids, esters of alkenoic and alkadienoic acids with phenoxy-and phenoxy-phenoxyethanol were synthesized, and also esters of phenoxyacetic acid with alkenols amd alkadienols.
- Yamansarova,Kukovinets,Kukovinets,Zainullin,Galin,Kunakova,Zorin,Tolstikov
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p. 246 - 255
(2007/10/03)
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- Fused pyrrolecarboxamides; a new class of GABA brain receptor ligands
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Disclosed are compounds of the formula: or the pharmaceutically acceptable non-toxic salts thereof wherein: G, X, T, n, and R3-R6are as defined herein, which compounds are highly selective agonists, antagonists or inverse agonists for GABAa brain receptors or prodrugs of agonists, antagonists or inverse agonists for GABAa brain receptors. These compounds are useful in the diagnosis and treatment of anxiety, sleep and seizure disorders, overdose with benzodiazepine drugs and for enhancement of memory.
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- 4-hydroxyquinoline-3-carboxamides and hydrazides as antiviral agents
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The present invention provides 4-hydroxyquinoline-3-carboxamide and hydrazide compounds of formula I These compounds are useful to treat or prevent the herpesviral infections, particularly, human cytomegaloviral infection.
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- FUSED PYRROLECARBOXAMIDES; A NEW CLASS OF GABA BRAIN RECEPTOR LIGANDS
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The present invention encompasses structures of the formula I: STR1 or the pharmaceutically acceptable non-toxic salts thereof wherein: G represents STR2 where Q is aryl substituents optionally mono or disubstituted with hydroxy or halogen;T is halogen, hydrogen, hydroxyl, amino or alkoxy having 1-6 carbon atoms;W is oxygen, nitrogen, sulfur, or optionally substituted methylene;X is hydrogen, hydroxyl, or alkyl; Z is an organic or inorganic substituent optionally forming a ring with subtituents on Q; STR3 independently represent optionally substituted carbon chains; wherein k, m, and n are independently 0, or an integer of from 1-3 R 3, R 4, R 5, and R 6 are the same or different and represent organic or inorganic substituents.These compounds are highly selective agonists, antagonists or inverse agonists for GABAa brain receptors or prodrugs of agonists, antagonists or inverse agonists for GABAa brain receptors. These compounds are useful in the diagnosis and treatment of anxiety, sleep and seizure disorders, overdose with benzodiazepine drugs and for enhancement of memory.
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- Charge-Transfer Interaction and Molecular Arrangement in the Crystals of 2-(p-Nitrophenoxy)ethyl Ethers and Amines
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X-Ray crystallographic analysis of the Acceptor- (CH2)2-Donor type compounds, p-O2NC6H4OCH2CH2OAr (Ar=m- and p-Me2NC6H4, and m-Et2NC6H4) and p-O2NC6H4OCH2CH2N(CH3)C6H4OMe-p, has been carried out.Among these, only m-dimethylamino derivative (1) gives dark red prisms in which a close arrangement of the electron-donor and acceptor groups is observed.With regard to the central C-C bond in ArO-C-C-OAr' or ArO-C-C-NAr', three of the above-mentioned four compounds show gauche conformation: 1 is the exception.The preference of the gauche, probably characteristic of O-C-C-O (or -N) group, is suggested to be due to a small energy difference between the trans and gauche forms by using the MM2 and the PM3 approximation.Charge-transfer interaction energy in 1 as an intermolecular force is estimated to be barely large enough to make the trans conformation favorable over the gauche.
- Mazaki, Yasuhiro,Mutai, Kiyoshi
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p. 3247 - 3254
(2007/10/03)
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- Amino naphthyridine compounds as anti-rhoumatic agents
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This invention relates to compounds of formula I and pharmaceutically acceptable salts thereof STR1 in which R1 represents hydrogen, alkyl, hydroxy, carboxyalkenyl, alkoxycarbonyalkenyl, hydroxyalkyl, carboxyalkyl, alkoxycarbonylalkyl, alkoxy, halogenated alkyl, carboxy alkoxycarbonyl or alkanoylamino; R2 represents hydrogen, halo, alkoxy, hydroxy, alkanoyloxy, or phenoxy; R3 represents hydrogen or alkyl; R4 represents hydrogen, halo, alkoxycarbonyl, a benzyloxycarbonyl, alkanoyl, benzoyl, carbamoyl, alkyl, carboxy, hydroxyalkyl or alkylthio; R5 represents hydrogen or alkyl; R6 represents hydrogen, alkyl [optionally substituted by one or more of the following: hydroxy, halo or an amino group of formula --NR12 R13 ], a C3-12 alicyclic hydrocarbon group, phenyl, (cycloalkyl)alkyl or benzyl; R7 represents hydrogen, halo, trifluoromethyl, trifluoromethoxy, alkyl, carboxy, or alkoxy; R8 represents hydrogen, halo, trifluoromethyl, trifluoromethoxy, alkyl or alkoxy; and R9 represents hydrogen or alkyl; which are antirheumatic agents. Compositions containing these compounds and processes to make them are also disclosed.
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- REACTION OF AROMATIC COMPOUNDS WITH NUCLEOPHILIC REAGENTS IN LIQUID AMMONIA. XI. REACTIONS OF HEXAFLUOROBENZENE WITH THE SODIUM SALTS OF ETHYLENE GLYCOL AND AMINO- AND MERCAPTOETHANOL
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In the reaction of hexafluorobenzene with sodium ethylene glycolate in liquid ammonia at -40 to 33 deg C 1,2-di(pentafluorophenoxy)ethane and (with an excess of the reagent) 6,7,9,10,16,17,19,20-octafluoro-1,4,11,14-tetraoxaparacyclophane are formed with almost quantitative yields.The reaction of hexafluorobenzene with the sodium salt of aminoethanol under the same conditions gave β-aminoethoxypentafluorobenzene, while the action both of mercaptoethanol itself and of its sodium salt led to substitution of the two para-oriented fluorine atoms by β-hydroxyethylthio groups.
- Kizner, T. A.,Shteingarts, V. D.
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p. 2183 - 2188
(2007/10/02)
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