- SMALL MOLECULE INHIBITORS OF A PROTEIN COMPLEX
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Compositions and methods for treating thrombosis, inflammation, and atherosclerosis by administration of a compound that binds to KRIT1 to inhibit binding with HEG1.
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Paragraph 00167
(2020/12/29)
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- A novel methoxy-decorated metal-organic framework exhibiting high acetylene and carbon dioxide storage capacities
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A methoxy-decorated novel metal-organic framework (MOF), Cu2(DTPD) (ZJU-12, H4DTPD = 5,5′-(2,6-dimethoxynaphthalene-1,5-diyl)diisophthalic acid) with optimized pore space and open metal sites, was solvothermally synthesized and structurally characterized. The activated ZJU-12a displays a moderately high BET (Brunauer-Emmett-Teller) surface area of 2316 m2 g?1. Due to the pore size of the crystal being consistent with the molecular size and kinetic diameters of C2H2 and CO2, ZJU-12a exhibits a high C2H2 storage capacity of 244 cm3 g?1 and CO2 capture capacity of 134 cm3 g?1 at room temperature.
- Duan, Xing,Cui, Yuanjing,Yang, Yu,Qian, Guodong
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p. 1464 - 1469
(2017/03/17)
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- A New Microporous Metal-Organic Framework for Highly Selective C2H2/CH4 and C2H2/CO2 Separation at Room Temperature
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We have successfully designed and synthesized a new tetracarboxylic linker, which constructed its first three-dimensional microporous metal-organic framework (MOF), [Cu2(DDPD)(H2O)2]?Gx (ZJU-13, H4DDPD=5,5'-(2,6-dihydroxynaphthalene-1,5-diyl)diisophthalic acid, ZJU=Zhejiang University, G = guest molecules) via solvothermal reaction. Due to open Cu2+ sites and optimized pore size, the activated ZJU-13a displays high separation selectivity for C2H2/CH4 of 74 and C2H2/CO2 of 12.5 at low pressure by using Ideal Adsorbed Solution Theory (IAST) simulation at room temperature.
- Duan, Xing,Xia, Tifeng,Ji, Zhenguo,Cui, Yuanjing,Yang, Yu,Qian, Guodong
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supporting information
p. 1289 - 1293
(2017/09/02)
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- Comparative Evaluation of Substituent Effect on the Photochromic Properties of Spiropyrans and Spirooxazines
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Spiropyrans and spirooxazines represent an important class of photochromic compounds with a wide variety of applications. In order to effectively utilize and design these photoswitches it is desirable to understand how the substituents affect photochromic properties, and how the different structural motifs compare under identical conditions. In this work a small library of photoswitches was synthesized in order to comparatively evaluate the effect of substituent modifications and structure on photochromism. The library was designed to modify positions that were believed to have the greatest effect on C-O bond lability and therefore the photochromic properties. Herein we report a comparative analysis of the UV and visible light responses of 30 spiropyrans, spiroindolinonaphthopyrans, and spirooxazines. The influence of gadolinium(III) binding was also investigated on the library of compounds to determine its effect on photoswitching. Both assays demonstrated different trends in substituent and structural requirements for optimal photochromism.
- Balmond, Edward I.,Tautges, Brandon K.,Faulkner, Andrea L.,Or, Victor W.,Hodur, Blanka M.,Shaw, Jared T.,Louie, Angelique Y.
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p. 8744 - 8758
(2016/10/14)
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- New alkoxy-functionalized naphthodithiophene-based semiconducting oligomers and polymers
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We report the syntheses and characterization of two bent dialkoxy-substituted naphthodithiophene (bNDT) isomers as well as of the corresponding bNDT-based small molecule and polymer semiconductors for organic field-effect transistors and organic photovoltaics. The bNDT-based building blocks exhibit improved oxidation potential and photo- and air stability versus the benzodithiophene and linear naphthodithiophene counterparts. Incorporation of the dialkoxy substituents enables film fabrication from solution and control of the molecular solid-state packing. Among these semiconductors, the polymer P1 exhibits good hole field-effect mobility of about 0.4 cm2 Vs -1 with Ion/Ioff>104 for low-temperature annealing. These results indicate that bNDT is a promising building block for optoelectronic semiconducting materials.
- Huang, Chun,Hu, Yan,Zheng, Yan,Drees, Martin,Pan, Hualong,Facchetti, Antonio
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p. 796 - 816
(2014/07/08)
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- 1:1 and 2:1 cocrystallizations of alkoxy-substituted naphthalene derivatives with octafluoronaphthalene through arene-perfluoroarene interactions
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Naphthalene derivatives with laterally orientated short side chains readily form cocrystals with octafluoronaphthalene in which the position and the length of the lateral chain can control the 1:1 and 2:1 cocrystallization stoichiometries and overlapped a
- Hori, Akiko,Takeda, Haruhi,Premkumar, J. Richard,Sastry, G. Narahari
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p. 193 - 197
(2015/03/05)
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- Synthesis and biological evaluation of 1-benzylidene-3,4-dihydronaphthalen- 2-one as a new class of microtubule-targeting agents
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A series of 1-benzylidene-3,4-dihydronaphthalen-2-one derivatives were designed and synthesized, and their biological activities in vitro and in vivo were evaluated. The results showed a number of the title compounds exhibiting potent nanomolar activity in several human cancer cell lines. Of these, compound 22b showed the strongest inhibitory activity against human CEM, MDA-MBA-435, and K562 cells (IC50 = 1 nM), displayed in vitro inhibition of tubulin polymerization (IC50 = 3.93 μM), and significantly induced cell cycle arrest in G2/M phase. In addition, compound 22b could inhibit the tumor growth in colon nude mouse xenograft tumor model significantly and seemed safer than CA-4 when achieving a similar tumor suppression. This study provided a new molecular scaffold for the further development of antitumor agents that target tubulin.
- Liu, Jia,Zheng, Can-Hui,Ren, Xiao-Hui,Zhou, Feng,Li, Wei,Zhu, Ju,Lv, Jia-Guo,Zhou, You-Jun
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scheme or table
p. 5720 - 5733
(2012/07/30)
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- A convenient and efficient synthesis of 2,6-dihydroxynaphthalene
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A convenient synthesis of 2,6-dihydroxynaphthalene from 6-bromo-2-naphthol has been achieved with high overall yield (52%) and good purity (95.7%) based on the conversion of 6-(methoxymethoxy)-2-naphthaldehyde to 6- (methoxymethoxy)-2-naphthol formate by a Baeyer-Villiger oxidation- rearrangement. Compared with the reported methods, the reaction conditions are milder and the work-up of each step is much simpler. Moreover, 6-bromo-2-naphthol as the starting material for the synthesis is readily available.
- Cui, Jia-Hua,Li, Shao-Shun
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p. 675 - 677
(2013/02/23)
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- Microwave-assisted methylation of phenols with tetramethylammonium chloride in the presence of K2CO3 or Cs2CO3
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We have evaluated the potential of using tetramethylammonium chloride (Me4NCl) as an alternative methylating agent for phenols under microwave-assisted conditions. Its chemical behavior was tested in a reaction with 2-naphthol in the presence of various bases and solvents. The method was then applied in 1,2-dimethoxyethane or toluene under heterogeneous conditions for the O-methylation of a series of phenolic compounds. We found that many simple phenols can be methylated in the presence of K2CO3, whereas some other less-reactive phenols require the presence of the more reactive Cs2CO3.
- Mara?, Nenad,Polanc, Slovenko,Ko?evar, Marijan
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experimental part
p. 11618 - 11624
(2009/04/05)
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- Synthesis and antifungal activities of novel 2-aminotetralin derivatives
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Novel 2-aminotetralin derivatives were synthesized as antifungal agents. The 2-aminotetralin scaffold was chemically designed to mimic the tetrahydroisoquinoline ring of the lead molecule described before. Their antifungal activities were evaluated in vitro by measuring the minimal inhibitory concentrations (MICs). Compounds 10a, 12a, 12c, 13b, and 13d are more potent than fluconazole against seven testing human fungal pathogens. Compound 10b exhibits much higher antifungal activities against all of the four fluconazole-resistant clinic Candida albicans strains than the control drugs including amphotericin B, terbinafine, ketoconazole, and itraconazole. The mode of action of some compounds to the potential receptor lanosterol 14α-demethylase (CYP51) was investigated by molecular docking. The studies presented here provide a new structural type for the development of novel antifungal compounds. Furthermore, 10b was evaluated in vivo by a rat vaginal candidiasis model, and it was found that 10b significantly decreases the number of fungal colony counts.
- Yao, Bin,Ji, Haitao,Cao, Yongbin,Zhou, Youjun,Zhu, Jü,Lü, Jiaguo,Li, Yaowu,Chen, Jun,Zheng, Canhui,Jiang, Yuanying,Liang, Rongmei,Tang, Hui
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p. 5293 - 5300
(2008/03/18)
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- Biphenyl compounds and their use as oestrogenic agents
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Compounds of formula (I), wherein [X] represents aromatic carbocyclic rings (A) and (B), where R1, R2, R3, R4, R5, R6and R7are as defined in the description, salts thereof, a method and intermediates for preparing same, the use thereof as drugs, and pharmaceutical compositions containing same, are disclosed.
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Page column 11
(2010/11/29)
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- 2-Amido-8-methoxytetralins: A Series of Nonindolic Melatonin-like Agents
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A series of unsubstituted and methoxy-substituted 2-amidotetralins (4a-q) was prepared and evaluated for their ability to complete for 2-iodomelatonin binding to chicken retinal membranes and for their potency to inhibit the calcium-dependent release of dopamine from rabbit retina.The lead compound, 2-acetamido-8-methoxytetralin (4j), showed a moderate affinity (Ki = 46 nM) and potency (IC50 = 1.4 nM) at the melatonin receptor.The structural requirements necessary for optimal agonistic activity at the melatonin receptor are as follows.First, the amido group, which should have a small, nonbranched alkyl group, is essential for affinity, and second, the methoxy substituent at the 8-position of the 2-amidotetralin ring is essential for optimal agonistic activity at the melatonin receptor.We concluded that this series of unsubstituted and methoxy-substituted 2-amidotetralins constitutes a class of nonindolic melatonin-like agents that can be used as pharmacological tools to further characterize melatonin receptors and to elucidate the mode of action of melatonin.
- Copinga, Swier,Tepper, Pieter G.,Grol, Cor J.,Horn, Alan S.,Dubocovich, Margarita L.
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p. 2891 - 2898
(2007/10/02)
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- Manganese(III)-Mediated Formylation of Aromatic Compounds in the Presence of Malonic Acid
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The reaction of naphthlenes with malonic acid in the presence of manganese(III) acetate gives naphthalenecarbaldehydes and naphthalenecarboxylic acids.Similar reactions of anthracene, pyrene, and methoxybenzenes also yield formylated and carboxylated products.It was found that the formyl group introduced to the aromatic ring was not derived from carboxymethyl radical generated directly by the thermolysis of manganese(III) acetate, but from a dicarboxymethyl radical formed by the interaction of malonic acid and manganese(III) acetate.In addition, it was also found that the dicarboxymethyl radicals attacked the position of the highest electron density on the aromatic ring and that this formylation was effective when the ionization potential of the aromatic copound was lower than 7.8 eV.
- Nishino, Hiroshi,Tsunoda, Katsunori,Kurosawa, Kazu
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p. 545 - 550
(2007/10/02)
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- Enzymes in organic synthesis. 37. Preparation and characterization of potential decalindione substrates of horse liver alcohol dehydrogenase
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The preparations of ten decalindiones for investigation as substrates of horse liver alcohol dehydrogenase are reported.The structure characterizations include clarifications of some ambiguities in the decalin literature.
- Jones, J. Bryan,Dodds, David R.
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p. 2397 - 2404
(2007/10/02)
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- Syntheses of 5-, 7-, and 8-Methoxy-3-methyl-2-tetralone
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Two efficient syntheses of 5-methoxy- and 8-methoxy-3-methyl-2-tetralone and the synthesis of the 7-methoxy isomer via a different route are described.Also reported is the synthesis of 8-methoxy-3,3-dimethyl-2-tetralone.The regioselectivity of lithium carbanion formation in 1,6-, 1,7-, and 2,7-dihydroxynaphthalene is discussed.The latter compound undergoes dimetalation more easily than the other isomers.
- Johansson, Anette M.,Mellin, Charlotta,Hacksell, Uli
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p. 5252 - 5258
(2007/10/02)
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- HALOGENATION REGIOSELECTIVE EN SERIE AROMATIQUE-II CHLORATION DES NAPHTOLS ET LEURS ETHERS A L'AIDE DE REACTIFS METTANT EN JEU DES INTERACTIONS DU TYPE DONNEUR-ACCEPTEUR
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The regispecific chlorination of naphtols by hexachlorocyclohexadienones as selective chlorinating reagents is described.The selectivity attained is better than that which we have obtained with phenol derivatives and confirms the importance of the donor-acceptor interaction between the reagent and the naphthol during the chlorination.
- Guy, Alain,Lemaire, Marc,Guette, Jean-Paul
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p. 2347 - 2354
(2007/10/02)
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