- Through-Space Intervalence Charge Transfer as a Mechanism for Charge Delocalization in Metal-Organic Frameworks
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Understanding the nature of charge transfer mechanisms in 3-dimensional metal-organic frameworks (MOFs) is an important goal owing to the possibility of harnessing this knowledge to design electroactive and conductive frameworks. These materials have been
- Hua, Carol,Doheny, Patrick W.,Ding, Bowen,Chan, Bun,Yu, Michelle,Kepert, Cameron J.,D'Alessandro, Deanna M.
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Read Online
- Pentacyclic Nano-Trefoil
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Tetra-armed cyclen (1) bearing two 4-(4′-pyridyl)benzyl and two 3,5-difluorobenzyl groups and its Ag+ complexes were prepared and structurally characterized. The complexes formed between 1 and Ag+ undergoes a reversible structural tr
- Ju, Huiyeong,Tsuruoka, Yumiko,Hayano, Miho,Lee, Eunji,Park, Ki-Min,Ikeda, Mari,Ishi-i, Jun-ichi,Kuwahara, Shunsuke,Habata, Yoichi
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Read Online
- Reversible luminescence "off-on" regulation based on tunable photodimerization: Via crystal-to-cocrystal transformation
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The photophysical properties of organic solid-state materials are inextricably linked to the molecular structures and packing modes. However, it is still a challenge to accurately tune the fluorescence color or on-off regulation of an organic material at
- Jiang, Shimei,Li, Bao,Shang, Hongxing,Wang, Yufei
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supporting information
p. 734 - 741
(2022/01/22)
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- COMPOUND USED AS AUTOPHAGY REGULATOR, AND PREPARATION METHOD THEREFOR AND USES THEREOF
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It is related to compounds used as autophagy modulators and a method for preparing and using the same, specifically providing a compound of general formula (I), or pharmaceutically acceptable salts thereof, which is a type of autophagy modulators, particularly mammalian ATG8 homologues modulators.
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Paragraph 0272-0273
(2020/07/07)
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- Pillar[5]arene-BODIPY host-guest interaction induced fluorescence enhancement and lysosomes targetable bioimaging in dilute solution
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Supramolecular complex by pillar[5]arenes and BODIPY dyad through host-guest interaction was developed and showed aggregation induced emission (AIE) property. 1H NMR titration and 2D NOESY NMR measurements were performed to evidence the host-gu
- Chen, Jia-Yi,Li, Xing-Yu,Wu, Jie,Wu, Yongquan,Kuang, Gui-Chao
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supporting information
(2020/10/29)
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- Programmable Self-Assembly of Heterometallic Palladium(II)–Copper(II) 1D Grid-Chain using Dinuclear Palladium(II) Corners with Pyrazole–Carboxylic Acid Ligands
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A novel heterometallic diPdII–diCuII grid-chain, {[(bpy)4Pd4Cu2L4](NO3)4}n (2; bpy=2,2′-bipyridine), was synthesized through a programmable self-assembly approach from the molecular corners [(bpy)2Pd2(HL)(L)](NO3) (1) as linkers with CuII nitrate by using the bifunctional H2L ligand featuring primary (pyrazole) and secondary (benzoic acid) groups. Structural analysis revealed that 1D structure 2 consists of one [Cu2(O2CPh)4]n unit as a bridge and two [(bpy)2Pd2L2]n corners. Additionally, the catalytic effect of the heterometallic synergy on the Suzuki coupling reaction by using 2 was further explored.
- Sun, Wen-Qing,Tong, Jin,Lu, Hong-Lin,Ma, Ting-Ting,Ma, Hong-Wei,Yu, Shu-Yan
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supporting information
p. 1108 - 1113
(2018/04/19)
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- Structure-Based Drug Design of Potent Pyrazole Derivatives against Rhinovirus Replication
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Rhinoviruses (RVs) have been linked to exacerbations of many pulmonary diseases, thus increasing morbidity and/or mortality in subjects at risk. Unfortunately, the wide variety of RV genotypes constitutes a major hindrance for the development of Rhinovirus replication inhibitors. In the current investigation, we have developed a novel series of pyrazole derivatives that potently inhibit the Rhinovirus replication. Compounds 10e and 10h behave as early stage inhibitors of Rhinovirus infection with a broad-spectrum activity against RV-A and RV-B species (EC50 0.1 μM). We also evaluate the dynamics of the emerging resistance of these promising compounds and their in vitro genotoxicity. Molecular docking experiments shed light on the pharmacophoric elements interacting with residues of the drug-binding pocket.
- Da Costa, Laurène,Scheers, Els,Coluccia, Antonio,Casulli, Adriano,Roche, Manon,Di Giorgio, Carole,Neyts, Johan,Terme, Thierry,Cirilli, Roberto,La Regina, Giuseppe,Silvestri, Romano,Mirabelli, Carmen,Vanelle, Patrice
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p. 8402 - 8416
(2018/09/18)
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- Supramolecular Chemistry of Some Metal Acetylacetonates with Auxiliary Pyridyl Sites
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Hetero-bifunctional ligands can pave the way for elaborate metallo-supramolecular systems and are also useful for combining metal-ligand bonding with other types of noncovalent interactions. We synthesized two new pyridyl-acetylacetonate ligands, 3-(4-(pyridin-4-yl)phenyl)pentane-2,4-dione (L1) and 3-(4-(pyridin-4-ylethynyl)phenyl)pentane-2,4-dione (L2), and explored their metal binding ability with selected di- and trivalent transition metal ions. As expected, the acetylacetonate ligation with metal dications remains consistent among four structures, [Cu(L1)2(MeOH)2]n, [Co(L2)2]n, [Cu(L2)2(MeOH)2], and [Zn(L2)2(MeOH)2]; the metal is four-coordinate and resides in a square planar environment. Differences in the overall architectures arise basically from the role played by the terminal heterocycle (i.e., the pyridyl group). In [Cu(L1)2(MeOH)2]n and [Co(L2)2]n, the heterocyclic end directly binds to the metal (through vacant axial positions), thereby producing coordination networks. In [Cu(L2)2(MeOH)2] and [Zn(L2)2(MeOH)2], metal-methanol coordination and intermolecular O-H(methanol)···N(pyridine) hydrogen-bond interactions work in concert to weave those bis-acetylacetonate complexes into ribbon-like supramolecular polymeric arrays. Somewhat surprisingly, the only tris-chelated acetylacetonate complex characterized in this study, [Fe(L2)3], essentially exists as discrete dimeric aggregates.
- Gunawardana, Chamara A.,Sinha, Abhijeet S.,Desper, John,Lakovi?, Marijana,Aaker?y, Christer B.
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p. 6936 - 6945
(2018/10/20)
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- A supramolecular photocatalyst composed of a polyoxometalate and a photosensitizing water-soluble porphyrin diacid for the oxidation of organic substrates in water
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A diprotonated form of a cationic water-soluble saddle-distorted porphyrin (H416+) forms stable supramolecular assemblies with multianionic polyoxometalates (POMs) by electrostatic interactions. An assembly of H416+ with a Ru-substituted POM can perform photocatalytic oxidation of organic substrates in water under visible-light irradiation through adduct formation of the H416+ moiety with an oxidant.
- Ishizuka, Tomoya,Ohkawa, Shumpei,Ochiai, Hidemi,Hashimoto, Muneaki,Ohkubo, Kei,Kotani, Hiroaki,Sadakane, Masahiro,Fukuzumi, Shunichi,Kojima, Takahiko
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p. 1975 - 1980
(2018/05/23)
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- Bistable Solid-State Fluorescence Switching in Photoluminescent, Infinite Coordination Polymers
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Photo-functional infinite coordinated polymers (ICPs) were synthesized that consist of the photochromic dithienylethene (DTE) and a luminescent bridging unit to give enhanced fluorescence in the solid state. We could fabricate well-ordered micropatterns of these ICPs by a soft-lithographic method, which repeatedly showed high contrast on–off fluorescence switching.
- Kim, Jincheol,You, Youngmin,Yoon, Seong-Jun,Kim, Jong H.,Kang, Boseok,Park, Sang Kyu,Whang, Dong Ryeol,Seo, Jangwon,Cho, Kilwon,Park, Soo Young
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supporting information
p. 10017 - 10022
(2017/08/01)
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- Imidazole derivatives [...] and its preparation method (by machine translation)
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This invention relates to a kind of a kind of [...] imidazole derivatives and method for preparing the same. The structure of this compound is the formula is: . This method is convenient, pervasive, economic. Type I in the organic photoelectric material and based on the analysis of the fluorescence detection has a broad application prospect in the field; in addition, because of such compounds are containing two nitrogen atom heterocyclic compound, has good biological activity, can also be used as a drug intermediate, preparing human, livestock anathematic drug. (by machine translation)
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Paragraph 0087; 0088; 0089
(2016/10/08)
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- VP1 crystal structure-guided exploration and optimization of 4,5-dimethoxybenzene-based inhibitors of rhinovirus 14 infection
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Human rhinoviruses (HRV) are the predominant cause of common colds and flu-like illnesses, but are also responsible for virus-induced exacerbations of asthma and chronic obstructive pulmonary disease. However, to date, no drug has been approved yet for clinical use. In this study, we present the results of the structure-based lead optimization of a class of new small-molecule inhibitors that we previously reported to bind into the pocket beneath the canyon of the VP1 protein. A small series of analogues that we designed based on the available structure and interaction data were synthesized and evaluated for their potency to inhibit the replication of HRV serotype 14. 2-(4,5-Dimethoxy-2-nitrophenyl)-1-(4-(pyridin-4-yl)phenyl)ethanol (3v) was found to be a potent inhibitor exhibiting micromolar activity (EC50 Combining double low line 3.4 ± 1.0 μM) with a toxicity for HeLa cells that was significantly lower than that of our previous hit (LPCRW-0005, CC50 Combining double low line 104.0 ± 22.2 μM; 3v, CC50 > 263 μM).
- Da Costa, Laurène,Roche, Manon,Scheers, Els,Coluccia, Antonio,Neyts, Johan,Terme, Thierry,Leyssen, Pieter,Silvestri, Romano,Vanelle, Patrice
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p. 453 - 462
(2016/04/19)
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- Palladium-catalyzed decarboxylative cross-coupling of 3-pyridyl and 4-pyridyl carboxylates with aryl bromides
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Decarboxylative cross-coupling of 3-pyridyl and 4-pyridyl carboxylates with aryl bromides is reported. Using a bimetallic system of Cu2O and Pd(PPh3)4, the scope of the reaction is demonstrated by the synthesis of 27 pyridine-containing biaryls in moderate to good yields.
- Chennamaneni, Lohitha Rao,William, Anthony D.,Johannes, Charles W.
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p. 1293 - 1296
(2015/03/04)
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- The side chain makes the difference: Investigation of the 2D self-assembly of 1,3,5-tris[4-(4-pyridinyl)phenyl]benzene derivatives by scanning tunneling microscopy
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Flexible and straightforward syntheses of a series of D3h- or C3h-symmetrical star-shaped compounds with pyridine end groups are reported. In all cases, the acid-mediated cyclocondensations of the corresponding aryl methyl ketone provided the central benzene ring. For the preceding preparation of the functionalized compound arms, Suzuki couplings were applied. The crucial introduction of the pyridine C-2 and C-6 substituents occurred by Fe(acac)3-catalyzed alkylations (acac = acetylacetonate). The preparation of the C3-symmetrical compound involved an alternating sequence of halogenations and coupling reactions. The self-assembly behavior of the four resulting star-shaped compounds at the interface between 1-phenyloctane and the basal plane of highly oriented pyrolytic graphite (HOPG) was studied by scanning tunnelling microscopy (STM). We found self-assembled monolayers with structures strongly dependent on the substitution patterns of the investigated compounds. The reduction of the symmetry from a D3h- to a C3h-symmetrical compound led to an entirely different self-assembly behavior with the change from a hexagonal to a lamellar arrangement.
- Trawny, Daniel,Vandromme, Lucie,Rabe, Juergen P.,Reissig, Hans-Ulrich
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supporting information
p. 4985 - 4992
(2014/08/18)
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- Design of substituted imidazolidinylpiperidinylbenzoic acids as chemokine receptor 5 antagonists: Potent inhibitors of R5 HIV-1 replication
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The redesign of the previously reported thiophene-3-yl-methyl urea series, as a result of potential cardiotoxicity, was successfully accomplished, resulting in the identification of a novel potent series of CCR5 antagonists containing the imidazolidinylpiperidinyl scaffold. The main redesign criteria were to reduce the number of rotatable bonds and to maintain an acceptable lipophilicity to mitigate hERG inhibition. The structure-activity relationship (SAR) that was developed was used to identify compounds with the best pharmacological profile to inhibit HIV-1. As a result, five advanced compounds, 6d, 6e, 6i, 6h, and 6k, were further evaluated for receptor selectivity, antiviral activity against CCR5 using (R5) HIV-1 clinical isolates, and in vitro and in vivo safety. On the basis of these results, 6d and 6h were selected for further development.
- Skerlj, Renato,Bridger, Gary,Zhou, Yuanxi,Bourque, Elyse,McEachern, Ernest,Metz, Markus,Harwig, Curtis,Li, Tong-Shuang,Yang, Wen,Bogucki, David,Zhu, Yongbao,Langille, Jonathan,Veale, Duane,Ba, Tuya,Bey, Michael,Baird, Ian,Kaller, Alan,Krumpak, Maria,Leitch, David,Satori, Michael,Vocadlo, Krystyna,Guay, Danielle,Nan, Susan,Yee, Helen,Crawford, Jason,Chen, Gang,Wilson, Trevor,Carpenter, Bryon,Gauthier, David,MacFarland, Ron,Mosi, Renee,Bodart, Veronique,Wong, Rebecca,Fricker, Simon,Schols, Dominique
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supporting information
p. 8049 - 8065
(2013/11/06)
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- Micromolding of a highly fluorescent reticular coordination polymer: Solvent-mediated reconfigurable polymerization in a soft lithographic mold
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(Figure presented) The fluorescent stripes: Coordination polymerization of pyrldlne-based ligands and zinc or silver ions was controlled by soft lithographic mlcromolding In capillaries. The polymer patterns (see picture) that are produced are highly fluorescent and supramolecularly structured.
- You, Youngmin,Yang, Hoichang,Chung, Jong Won,Kim, Jong H.,Jung, Yunoh,Park, Soo Young
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experimental part
p. 3757 - 3761
(2010/09/03)
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- Highly fluorescent supramolecular gels with chirality transcription through hydrogen bonding
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A highly fluorescent organogel with transparency was formed through a hydrogen (H)-bonding interaction between a non-fluorescent and achiral 2-(3′,5′-bis-trifluoromethyl-biphenyl-4-yl)-3-(4-pyridin-4-yl- phenyl)-acrylonitrile (CN-TFMBPPE) monomer and chiral sergeant l-tartaric acid (TA) (or d-TA), with gel formation being accompanied by a drastic fluorescence enhancement as well as chirality induction. The Royal Society of Chemistry.
- Seo, Jangwon,Chung, Jong Won,Jo, Eun-Hye,Park, Soo Young
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supporting information; body text
p. 2794 - 2796
(2009/02/05)
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- Catalysis in capillaries by Pd thin films using Microwave-Assisted Continuous-flow Organic Synthesis (MACOS)
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(Chemical Equation Presented) Finally ... metal in a microwave! Thin films of Pd black deposited onto the inner surface of microcapillaries are efficient for metal-catalyzed transformations under flow conditions including the Suzuki-Miyama and Heck couplings. The reaction mixture is flowed through these miniature capillaries while being microwaved, and conversion times are on the order of seconds.
- Shore, Gjergji,Morin, Sylvie,Organ, Michael G.
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p. 2761 - 2766
(2008/02/02)
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- Methods of treatment using an EP2 selective receptor agonist
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The present invention relates to methods of treating pulmonary hypertension, facilitating joint fusion, facilitating tendon and ligament repair, reducing the occurrence of secondary fracture, treating avascular necrosis, facilitating cartilage repair, facilitating bone healing after limb transplantation, facilitating liver regeneration, facilitating wound healing, reducing the occurrence of gastric ulceration, treating hypertension, facilitating the growth of tooth enamel or finger or toe nails, treating glaucoma, treating ocular hypertension, and repairing damage caused by metastatic bone disease using an EP2 selective receptor agonist.
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Page/Page column 48
(2010/02/13)
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- Biarylcarboxybenzamide derivatives as potent vanilloid receptor (VR1) antagonistic ligands
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Seventeen biarylcarboxybenzamide derivatives were prepared for the study of their agonistic/antagonistic activities to the vanilloid receptor (VR1) in rat DRG neurons. The replacement of the piperazine moiety of the lead compound 1 with phenyl ring showed quite enhanced antagonistic activity. Among the prepared derivatives, N-(4-tert-butylphenyl)-4-pyridine-2-yl-benzamide (2, IC 50 = 31 nM) and N-(4-tert-butylphenyl)-4-(3-methylpyridine-2-yl) benzamide (3g, IC50 = 31 nM), showed 5-fold higher antagonistic activity than 1 in 45Ca2+-influx assay.
- Park, Hyeung-Geun,Choi, Ji-Yeon,Kim, Mi-Hyun,Choi, Sea-Hoon,Park, Mi-Kyung,Lee, Jihye,Suh, Young-Ger,Cho, Hawon,Oh, Uhtaek,Kim, Hee-Doo,Joo, Yung Hyup,Shin, Song Seok,Kim, Jin Kwan,Jeong, Yeon Su,Koh, Hyun-Ju,Park, Young-Ho,Jew, Sang-Sup
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p. 631 - 634
(2007/10/03)
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- PIPERIDINES USEFUL FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS
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The invention relates to compounds which are substituted chiral or achiral derivatives of 3- or 4- aminopiperidine of the general formula (I). The invention also concerns related aspects including processes for the preparation of the compounds, pharmaceutical compositions containing one or more compounds of general formula I and especially their use as inhibitors of β-secretases.
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- SUBSTITUTED 3- AND 4- AMINOMETHYLPIPERIDINES FOR USE AS BETA-SECRETASE IN THE TREATMENT OF ALZHEIMER’S DISEASE
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The invention relates to novel compounds, which are substituted chiral or achiral derivatives of 3- or 4- aminomethylpiperidine of the general formula (I). The invention also concerns related aspects including processes for the preparation of the compounds, pharmaceutical compositions containing one or more compounds of general formula (I) and especially their use as inhibitors of beta-secretases for the treatment of Alzheimer’s disease.
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Page/Page column 48
(2008/06/13)
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- Synthesis of novel palladacycles and their application in heck and Suzuki reactions under aerobic conditions
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(Chemical Equation Presented) Design and synthesis of a novel family of furancarbothioamide-based palladacycles are reported herein. These palladacycles are thermally stable, not sensitive to air or moisture, and are applied effectively in the Heck reaction of aryl halides with terminal olefins and in the Suzuki reaction of aryl halides with arylboronic acids. These reactions were performed under aerobic conditions, leading to turnover numbers (TONs) up to 1 × 105.
- Xiong, Zhengchang,Wang, Nengdong,Dai, Mingji,Li, Ang,Chen, Jiahua,Yang, Zhen
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p. 3337 - 3340
(2007/10/03)
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- Synthesis of plasmepsin II inhibitors - Potential antimalarial agents
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A new series of plasmepsin II (PM II) inhibitors has been prepared based on 4-aminopiperidine-tert-butyl-carbamate (1). These compounds might be useful as antimalarial drugs acting via a new mechanism, and therefore be less susceptible to parasite resista
- Mueller, Reto,Huerzeler, Marianne,Boss, Christoph
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p. 556 - 564
(2007/10/03)
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- Tricyclic inhibitors of poly(ADP-ribose) polymerases
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Compounds of the formula shown below are poly(ADP-ribosyl)transferase inhibitors: Such compounds are useful as therapeutics in treating cancers and in ameliorating the effects of stroke, head trauma, and neurodegenerative disease.
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- Iodine(V) reagents in organic synthesis. Part 4. o-Iodoxybenzoic acid as a chemospecific tool for single electron transfer-based oxidation processes
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o-Iodoxybenzoic acid (IBX), a readily available hypervalent iodine(V) reagent, was found to be highly effective in carrying out oxidations adjacent to carbonyl functionalities (to form α, β-unsaturated carbonyl compounds) and at benzylic and related carbon centers (to form conjugated aromatic carbonyl systems). Mechanistic investigations led to the conclusion that these new reactions are initiated by single electron transfer (SET) from the substrate to IBX to form a radical cation which reacts further to give the final products. Fine-tuning of the reaction conditions allowed remarkably selective transformations within multifunctional substrates, elevating the status of this reagent to that of a highly useful and chemoselective oxidant.
- Nicolaou,Montagnon,Baran,Zhong
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p. 2245 - 2258
(2007/10/03)
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- Method for treating glaucoma
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Methods of using prostaglandin agonists for the reduction of intraocular pressure, and accordingly glaucoma.
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- Prostaglandin agonists and their use to treat bone disorders
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This invention relates to prostaglandin agonists, methods of using such prostaglandin agonists, pharmaceutical compositions containing such prostaglandin agonists and kits containing such prostaglandin agonists. The prostaglandin agonists are useful for the treatment of bone disorders including osteoporosis.
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- Prevention of loss and restoration of bone mass by certain prostaglandin agonists
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Prostaglandin agonists of formula (I), in which, for example, A is a sulphonyl or acyl group, B is N or CH, M contains a ring and K and Q are linking groups, methods of using such prostaglandin agonists, pharmaceutical compositions containing such prostaglandin agonists and kits useful for the treatment of bone disorders including osteoporosis. STR1
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