- Balancing Mechanical Stability and Ultrahigh Porosity in Crystalline Framework Materials
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A new mesoporous metal–organic framework (MOF; DUT-60) was conceptually designed in silico using Zn4O6+ nodes, ditopic and tritopic linkers to explore the stability limits of framework architectures with ultrahigh porosity. The robus
- H?nicke, Ines M.,Senkovska, Irena,Bon, Volodymyr,Baburin, Igor A.,B?nisch, Nadine,Raschke, Silvia,Evans, Jack D.,Kaskel, Stefan
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Read Online
- Structure of aggregates of trans-4-alkoxy-4′-carboxystilbenes in the solid state and in microheterogeneous media. A link between the `unit aggregate' and extended arrays
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Crystals of three 4-alkoxy-4′-carboxy trans-stilbene (ACS) derivatives and a crystal of 4-methoxy-4′-methanoate trans-stilbene have been shown to have structures in which the amphiphilic aromatics are arranged in layers remarkably similar to deposited Langmuir-Blodgett multilayer assemblies. Within each layer there is either a glide or pseudoglide (or herringbone) arrangement of the chromophores very similar to that deduced from physical properties and simulations for structurally related stilbene, azobenzene, and tolan amphiphiles in microheterogeneous media, solution, and Langmuir-Blodgett (LB) films. The fluorescence of the crystals is very similar to that associated with LB films of a water-insoluble amphiphilic ACS that is associated with the aggregate. An analysis of the crystal structure indicates that energetically favorable aromatic-aromatic (edge-face) interaction determines the packing within a layer.
- Vaday,Geiger,Cleary,Perlstein,Whitten
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Read Online
- Vinyl-Stilbene Compounds and Uses Thereof
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The present invention relates to a biphenyl - stilbene (Vinyl-stilbene) - based compound and a pharmaceutical composition for preventing or treating norovirus infection comprising the same as an active ingredient. The present invention can be usefully used as a pharmaceutical composition for treating norovirus infection by showing superior norovirus inhibitory activity and lower cell toxicity as compared to previously known compounds.
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Paragraph 0255; 0288-0294
(2021/06/22)
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- Reactions of benzyltriphenylphosphonium salts under photoredox catalysis
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The development of benzyltriphenylphosphonium salts as alkyl radical precursors using photoredox catalysis is described. Depending on substituents, the benzylic radicals may couple to form C-C bonds or abstract a hydrogen atom to form C-H bonds. A natural product, brittonin A, was also synthesized using this method.
- Boldt, Andrew M.,Dickinson, Sidney I.,Ramirez, Jonathan R.,Benz-Weeden, Anna M.,Wilson, David S.,Stevenson, Susan M.
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supporting information
p. 7810 - 7815
(2021/09/28)
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- Anti-oligomerization sheet molecules: Design, synthesis and evaluation of inhibitory activities against α-synuclein aggregation
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Aggregation of α-synuclein (α-Syn) play a key role in the development of Parkinson Disease (PD). One of the effective approaches is to stabilize the native, monomeric protein with suitable molecule ligands. We have designed and synthesized a series of sheet-like conjugated compounds which possess different skeletons and various heteroatoms in the two blocks located at both ends of linker, which have good π-electron delocalization and high ability of hydrogen-bond formation. They have shown anti-aggregation activities in vitro towards α-Syn with IC50 down to 1.09 μM. The molecule is found binding in parallel to the NACore within NAC domain of α-Syn, interfering aggregation of NAC region within different α-Syn monomer, and further inhibiting or slowing down the formation of α-Syn oligomer nuclei at lag phase. The potential inhibitor obtained by our strategy is considered to be highly efficient to inhibit α-Syn aggregation.
- Liu, Hao,Chen, Li,Zhou, Fei,Zhang, Yun-Xiao,Xu, Ji,Xu, Meng,Bai, Su-Ping
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p. 3089 - 3096
(2019/06/14)
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- Identification of novel non-nucleoside vinyl-stilbene analogs as potent norovirus replication inhibitors with a potential host-targeting mechanism
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Norovirus (NV), is the most common cause of acute gastroenteritis worldwide. To date, there is no specific anti-NV drug or vaccine to treat NV infections. In this study, we evaluated the inhibitory effect of different stilbene-based analogs on RNA genome replication of human NV (HNV) using a virus replicon-bearing cell line (HG23). Initial screening of our in-house chemical library against NV led to the identification of a hit containing stilbene scaffold 5 which on initial optimization gave us a vinyl stilbene compound 16c (EC50 = 4.4 μM). Herein we report our structure-activity relationship study of the novel series of vinyl stilbene analogs that inhibits viral RNA genome replication in a human NV-specific manner. Among these newly synthesized compounds, several amide derivatives of vinyl stilbenes exhibited potent anti-NV activity with EC50 values ranging from 1 to 2 μM. A trans-vinyl stilbenoid with an appended substituted piperazine amide (18k), exhibited potent anti-NV activity and also displayed favorable metabolic stability. Compound 18k demonstrated an excellent safety profile, the highest suppressive effect, and was selective for HNV replication via a viral RNA polymerase-independent manner. Its potential host-targeting antiviral mechanism was further supported by specific activation of heat shock factor 1-dependent stress-inducible pathway by 18k. These results suggest that 18k might be a promising lead compound for developing novel NV inhibitors with the novel antiviral mechanism.
- Harmalkar, Dipesh S.,Lee, Sung-Jin,Lu, Qili,Kim, Mi Il,Park, Jaehyung,Lee, Hwayoung,Park, Minkyung,Lee, Ahrim,Lee, Choongho,Lee, Kyeong
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supporting information
(2019/10/09)
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- HISTONE DEACETYLASE INHIBITORS
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Provided herein are compounds and methods for inhibiting histone deacetylase ("HDAC") enzymes (e.g., HDAC1, HDAC2, and HDAC3).
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Paragraph 00256; 00257; 00266; 00267; 00276; 00277; 00318
(2018/07/29)
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- ANTI-ESTROGENIC COMPOUNDS
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The present disclosure provides a compound of Formula I: or a pharmaceutically acceptable salt wherein X, R1-R8, Y1-Y5, m, n, p, and q are defined herein. The novel 2H-chromene compounds are useful for the modul
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Page/Page column 0156-0159
(2016/11/14)
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- SUBSTITUTED BICYCLIC HETEROARYL COMPOUNDS AS RXR AGONISTS
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The present invention relates to certain substituted bicyclic compounds that are agonists of RXR and which are therefore useful in the treatment of certain disorders that can be prevented or treated by activation of this receptor. In addition the invention relates to the compounds, methods for their preparation, pharmaceutical compositions containing the compounds and the uses of these compounds in the treatment of certain disorders.
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Paragraph 0428
(2016/12/01)
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- One-pot synthesis of gem-difluorostyrenes from benzyl bromide via olefination of phosphonium ylide with difluorocarbene
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A new approach for the synthesis of gem-difluorostyrenes from benzyl bromide is described. Quaternization of triphenylphosphine with benzyl bromide to give phosphonium salts, deprotonation of the corresponding phosphonium salts to produce phosphonium ylide, and the subsequent olefination of phosphonium ylide with difluorocarbene generated from difluoromethylene phosphobetaine (Ph3P+CF2CO2-) by decarboxylation can occur smoothly in one-pot, furnishing the final gem-difluorostyrenes in good yields.
- Deng, Xiao-Yun,Lin, Jin-Hong,Xiao, Ji-Chang
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p. 116 - 120
(2015/11/10)
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- ANTIVIRAL DRUGS FOR TREATMENT OF ARENA VIRUS INFECTION
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Compounds, methods and pharmaceutical compositions for treating viral infections, by administering certain compounds in therapeutically effective amounts are disclosed. Methods for preparing the compounds and methods of using the compounds and pharmaceutical compositions thereof are also disclosed. In particular, the treatment and prophylaxis of viral infections such as caused by the Arenavirus family such as Lassa fever, Argentine hemorrhagic fever, Bolivian hemorrhagic fever, and Venezuelan hemorrhagic fever
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Paragraph 0000136; 0000189
(2013/08/28)
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- THIAZOLOPYRIMIDINE COMPOUNDS
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The present invention relates to the use of novel pyrrolopyrazine derivatives of formula I: wherein all variable substituents are defined as described herein, which are SYK inhibitors and are useful for the treatment of auto-immune and inflammatory diseases.
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Page/Page column 66
(2012/10/08)
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- Peroxisome proliferator-activated receptor agonists with phenethylphenylphthalimide skeleton derived from thalidomide-related liver X receptor antagonists: Relationship between absolute configuration and subtype selectivity
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Introduction of an alkylcarboxylic acid unit, which is a partial structure of endogenous peroxisome proliferator-activated receptor (PPAR) ligands, into a phenethylphenylphthalimide skeleton, which possesses liver X receptor (LXR) antagonistic activity, afforded novel PPAR ligands. The results of structure-activity relationship analysis and docking studies led us to the potent PPAR agonists 13c-e. The absolute configuration of 13c-e affects the PPAR subtype selectivity.
- Motoshima, Kazunori,Ishikawa, Minoru,Hashimoto, Yuichi,Sugita, Kazuyuki
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experimental part
p. 3156 - 3172
(2011/06/26)
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- PHENYLCARBOXYLIC ACID DERIVATIVES AND USE THEREOF FOR THE TREATMENT OF DIABETES
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The invention relates to compounds of general formula (1): in which R1, R2, R3, R4, R5, A, B, D and E are as defined in Claim 1, and also to the preparation process therefor and the therapeutic use thereof. These compounds can be used in the treatment of pathologies associated with hyperglycaemia.
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Page/Page column 98
(2010/02/15)
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- Cytoprotective compounds, pharmaceutical and cosmetic formulations, and methods
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Cytoprotective compounds, many of which are phenolic derivatives characterized by a substituted phenol having certain conjugated bonds, are useful in the treatment of certain ischemic or inflammatory conditions, including but not limited to stroke, myocardial infarction, congestive heart failure, and skin disorders characterized by inflammation or oxidative damage. They are also useful in the manufacture of pharmaceutical and cosmetic formulations for the treatment of such conditions.
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- Synthesis of N-substituted piperidine-4-(benzylidene-4-carboxylic acids) and evaluation as inhibitors of steroid-5α-reductase type 1 and 2
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The synthesis of N-substituted piperidine-4-(benzylidene-4-carboxylic acids) is described [benzoyl (1Scheme 2Synthetic strategy.), benzyl (2), adamantanoyl (3), cyclohexanoyl (4), cyclohexylacetyl (5), diphenylacetyl (6), dicyclohexylacetyl (7), 2-propylpentanoyl (8), diphenylcarbamoyl (9), trimethylacetyl (10), 3,3-dimethylacryloyl (11), dicyclohexylacetyl derivative of the benzyl compound (12)]. Compounds were tested for inhibitory activity toward 5α-reductase isozymes 1 and 2 in human and rat. The test compounds inhibited 5α-reductase, showing a broad range of inhibitory potencies. In rat, compounds 6 (IC50=3.44 and 0.37 μM for type 1 and 2, respectively) and 9 (IC50=0.54 and 0.69 μM for type 1 and 2, respectively) displayed the best inhibition toward both isozymes. Compound 7 showed a strong inhibition toward type 2 human and rat enzyme (IC50=60 and 80 nM) but only a moderate activity versus type 1 enzyme (IC50 approximately 10 μM for rat and human enzyme). In vivo, selected compounds reduced prostate weights in castrated testosterone treated rats. Copyright (C) 2000 Elsevier Science Ltd.
- Picard, Franck,Baston, Eckhard,Reichert, Wolfgang,Hartmann, Rolf W.
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p. 1479 - 1487
(2007/10/03)
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- 9-Substituted porphycenes
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Porphycene compounds having the formula STR1 wherein each R is --(CH2)n --X, n=1-10, X is OR1 and R1 is alkyl, aralkyl or aryl are useful as photosensitizer compounds in photodynamic therapy.
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- C60H60 und C54H48: Extraktion von Silber-Ionen mit neuen konkaven Kohlenwasserstoffen
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Stichworte: Kohlenwasserstoffe * Silberverbindungen * Sphaeranden * Wirt-Gast-Chemie
- Gross, Jens,Harder, Gabriele,Voegtle, Fritz,Stephan, Holger,Gloe, Karsten
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p. 523 - 526
(2007/10/02)
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- The Effect of Electron-Donating and Electron-Withdrawing Substituents on 1H- and 13C-NMR Chemical Shifts of Novel 7'-Aryl-Substituted 7'-Apo-β-carotenes
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The synthesis of 7'-aryl-7'-apo-β-carotenes, where aryl (Ar) is Ph, 4-NO2C6H4, 4-MeOC6H4, 4-(MeO2C)C6H4, C6F5, and 2,4,6-Me3C6H2, is described.NMR Chemical shifts of all H- and C-atoms are presented, together with specific examples of the spectra.In contrast to 1H chemical shifts which, except for H-C(8') and H-C(7'), did not differ greatly from those of β,β-carotene, considerable variations in 13C chemical shifts were observed.Signals of the C(α) atoms of the polyene chain nAr were shielded, those of the C(β) atoms were deshielded, with some exceptions when n = 1; the effects decreased with increasing n.
- Hand, Elli S.,Belmore, Kenneth A.,Kispert, Lowell D.
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p. 1928 - 1938
(2007/10/02)
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- Process for synthesizing 4,4'-bis(carboalkoxystilbene) derivatives
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The invention is concerned with a novel route for making 4,4'-bis(carboalkoxystilbene) derivatives. The process involved is a variation of the Wittig process and allows the compound to be obtained in a less costly and safer way.
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- Certain arylalkyl or pyridylalkyl hydroxamates useful for treating allergies and asthma
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Arylhydroxamates are provided having the structure STR1 wherein R1 is hydrogen, lower alkyl, aryl, lower alkenyl, cycloalkyl, or aralkyl; R2 is hydrogen, lower alkyl, aryl, cycloalkyl, alkanoyl or aroyl; m is 2 to 8; and STR2 wherein R3 is OH, COOH STR3 These compounds are useful as inhibitors of Δ5 -lipoxygenase and as such are useful as antiallergy agents.
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- Stereodynamics of Intramolecular Triplet Energy Transfer in Carotenoporphyrins
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Carotenoporphyrins, consisting of carotenoid polyenes linked covalently to porphyrins, are known to mimic both the antenna function and the photoprotection from singlet oxygen damage provided by carotenoids in photosynthetic organisms.A series of caroteno
- Gust, Devens,Moore, Thomas A.,Bensasson, Rene V.,Mathis, Paul,Land, Edward J.,et al.
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p. 3631 - 3640
(2007/10/02)
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- HELICENES : SYNTHESE PHOTOCHIMIQUE ET ETUDE RMN 19F, 13 C ET 1H DE FLUORO-1-HEXAHELICENES ET FLUORO-1-HEPTAHELICENES.
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1-Fluorohexahelicene, 1-fluoroheptahelicene and 12 substituted derivatives of these fluorohelicenes have been synthesized by the photocyclodehydrogenation of 1-fluro-11-styrylbenzophenanthrenes (Table 2) and 1-fluoro-13-styrylpentahelicenes (Table 4) respectively.The photocyclisations to heptahelicenes were accompanied in five cases, by a side reaction, namely a photodefluoration.A new synthesis of heptahelicenes is described (25-->18 : 40 percent). 1H, 19F and 13C-NMR spectra are discussed. 19F and 13C-NMR spectra of 1-fluoro-, 1-fluoro-13-methyl- and 1-fluoro-13-methoxycarbonylpentahelicene (8d, 8a and 8 R=-CO2CH3) are also included.
- Corsane, M.,Defay, N.,Martin, R. H.
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p. 215 - 232
(2007/10/02)
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