- PICOLINAMIDE DERIVATIVES USEFUL AS AGRICULTURAL FUNGICIDES
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The present invention relates to picolinic acid derivatives that are useful in treating fungal diseases, particularly in plants.
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Page/Page column 46
(2021/01/29)
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- Reaction of Pyridine-N-Oxides with Tertiary sp2-N-Nucleophiles: An Efficient Synthesis of Precursors for N-(Pyrid-2-yl)-Substituted N-Heterocyclic Carbenes
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N-(Pyrid-2-yl)-substituted azolium and pyridinium salts, precursors for hybrid NHC-containing ligands, were obtained with excellent regioselectivity, employing a deoxygenative CH-functionalization of pyridine-N-oxides with substituted imidazoles, thiazoles, and pyridine. Unlike the traditional SNAr-based methods, this approach provides high yields for substrates bearing substituents of different electronic nature. The utility of azolium and pyridinium salts thus prepared was also highlighted by the synthesis of pyridyl-substituted imidazolyl-2-thione, benzodiazepine as well as 2-aminopyridines.
- Bugaenko, Dmitry I.,Karchava, Alexander V.,Yurovskaya, Marina A.
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supporting information
p. 5777 - 5782
(2020/12/01)
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- HETEROARYL COMPOUNDS AS INHIBITORS OF NECROSIS, COMPOSITION AND METHOD USING THE SAME
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The present disclosure provides heteroaryl compounds of Formula (I), processes for their preparation, pharmaceutical compositions containing them, and their use in the treatment of diseases and disorders, arising from or related to necrosis. Formula (I) is shown below:
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Paragraph 00271; 00274; 00275
(2019/01/10)
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- Aza-boron-diquinomethene complexes bearing N-aryl chromophores: Synthesis, crystal structures, tunable photophysics, the protonation effect and their application as pH sensors
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A series of aza-boron-diquinomethene complexes (1a-1e) bearing different N-aryl chromophores were synthesized and characterized by multinuclear NMR spectroscopy, X-ray crystallography, optical absorption and emission spectroscopy, and elemental analysis. These robust thermal complexes possess tunable intense luminescence from blue to red with relatively high emission quantum yields. The introduction of different N-aryl chromophores into the aza-BODIQU core significantly tuned the emission colors. The relationship between their structures and properties was investigated systematically via spectroscopic methods and simulated by density functional theory (DFT) calculations. Additionally, the application of 1c as a pH sensor with a remarkable colour-changing property has been investigated. All these results indicate that these complexes exhibit robust thermal stability, tunable photophysical properties, relatively high photoluminescence quantum yields and protonation effect, making these complexes potential candidates for pH sensors, bioimaging probes and organic light-emitting materials.
- Zhu, Xiaolin,Huang, Hai,Liu, Rui,Jin, Xiaodong,Li, Yuhao,Wang, Danfeng,Wang, Qiang,Zhu, Hongjun
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p. 3774 - 3782
(2015/04/22)
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- Synthesis, photophysical and electrochemical properties of aza-boron-diquinomethene complexes
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A series of aza-boron-diquinomethene (aza-BODIQU) complexes with different aryl-substituents (B1-B6) were synthesized and characterized. Their photophysical properties were investigated systematically via spectroscopic and theoretical methods. All complexes exhibit strong 1π-π* absorption bands and intense fluorescent emission bands in the visible spectral region at room temperature. The fluorescence spectra in solution show the mirror image features of the S0→S1 absorption bands, which can be assigned to the 1π-π*/1ICT (intramolecular charge transfer) emitting states. Except for B6, all complexes exhibit high photoluminescence quantum yields (ΦPL = 0.47-0.93). The spectroscopic studies and theoretical calculations indicate that the photophysical properties of these aza-BODIQUs can be tuned by the appended aryl-substituents, which would be useful for rational design of boron-fluorine complexes with high emission quantum yield for organic light-emitting applications.
- Wang, Danfeng,Liu, Rui,Chen, Chen,Wang, Shifan,Chang, Jin,Wu, Chunhui,Zhu, Hongjun,Waclawik, Eric R.
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p. 240 - 249
(2013/10/21)
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- From fragment screening to in vivo efficacy: Optimization of a series of 2-aminoquinolines as potent inhibitors of beta-site amyloid precursor protein cleaving enzyme 1 (bace1)
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Using fragment-based screening of a focused fragment library, 2-aminoquinoline 1 was identified as an initial hit for BACE1. Further SAR development was supported by X-ray structures of BACE1 cocrystallized with various ligands and molecular modeling studies to expedite the discovery of potent compounds. These strategies enabled us to integrate the C-3 side chain on 2-aminoquinoline 1 extending deep into the P2′ binding pocket of BACE1 and enhancing the ligand's potency. We were able to improve the BACE1 potency to subnanomolar range, over 106-fold more potent than the initial hit (900 μM). Further elaboration of the physical properties of the lead compounds to those more consistent with good blood-brain barrier permeability led to inhibitors with greatly improved cellular activity and permeability. Compound 59 showed an IC50 value of 11 nM on BACE1 and cellular activity of 80 nM. This compound was advanced into rat pharmacokinetic and pharmacodynamic studies and demonstrated significant reduction of Aβ levels in cerebrospinal fluid (CSF).
- Cheng, Yuan,Judd, Ted C.,Bartberger, Michael D.,Brown, James,Chen, Kui,Fremeau Jr., Robert T.,Hickman, Dean,Hitchcock, Stephen A.,Jordan, Brad,Li, Vivian,Lopez, Patricia,Louie, Steven W.,Luo, Yi,Michelsen, Klaus,Nixey, Thomas,Powers, Timothy S.,Rattan, Claire,Sickmier, E. Allen,St. Jean Jr., David J.,Wahl, Robert C.,Wen, Paul H.,Wood, Stephen
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p. 5836 - 5857
(2011/10/09)
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- NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION
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The embodiments provide compounds of the general Formulae I, II, III, IV, or V as well as compositions, including pharmaceutical compositions, comprising a subject compound. The embodiments further provide treatment methods, including methods of treating a hepatitis C virus infection and methods of treating liver fibrosis, the methods generally involving administering to an individual in need thereof an effective amount of a subject compound or composition.
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Page/Page column 270
(2011/07/06)
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- URACIL OR THYMINE DERIVATIVE FOR TREATING HEPATITIS C
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Present application relates to the compounds of formula I useful to treat hepatitis C (HCV) infections. In the structure of the disclosed compounds is the uracil or thymine derivative linked via a phenylene into either fused 2-ring cyclic system (R6) or alternatively via additional two-atom linker (L) to a 5-6 membered monocycle (R6). Application further discloses polymorphs and pseudopolymorphs of two specific compounds: N-(6(3-t-butyl-5-(2>4-dioxo-3,4-dihydropyrimidin-1 (2H)- y!)2-methoxy-phenyl)naphthalen-2-yl)methanesulfonamide and (E)-N-(4(3-t- butyl-5-(2,4-dioxo-3)4-dihydropyrimidin-1 (2H)-yl)2-methoxy-styryl- phenyl)methanesulfonamide.
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Page/Page column 181
(2009/04/25)
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- ANTI-INFECTIVE PYRIMIDINES AND USES THEREOF
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This invention relates to: (a) compounds and salts thereof that, inter alia, inhibit HCV; (b) intermediates useful for the preparation of such compounds and salts; (c) compositions comprising such compounds and salts; (d) methods for preparing such intermediates, compounds, salts, and compositions; (e) methods of use of such compounds, salts, and compositions; and (f) kits comprising such compounds, salts, and compositions.
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Page/Page column 110
(2009/04/25)
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- TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE
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Described herein are compounds and pharmaceutical compositions containing such compounds, which inhibit the activity of 5-lipoxygenase (5-LO). Also described herein are methods of using such 5-LO inhibitors, alone and in combination with other compounds, for treating respiratory, cardiovascular, and other leukotriene-dependent or leukotriene mediated conditions, diseases, or disorders.
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Page/Page column 82; 111; 112
(2010/11/28)
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- Identification and specificity studies of small-molecule ligands for SH3 protein domains
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The Src Homology 3 (SH3) domains are small protein-protein interaction domains that bind proline-rich sequences and mediate a wide range of cell-signaling and other important biological processes. Since deregulated signaling pathways form the basis of many human diseases, the SH3 domains have been attractive targets for novel therapeutics. High-affinity ligands for SH3 domains have been designed; however, these have all been peptide-based and no examples of entirely nonpeptide SH3 ligands have previously been reported. Using the mouse Tec Kinase SH3 domain as a model system for structure-based ligand design, we have identified several simple heterocyclic compounds that selectively bind to the Tec SH3 domain. Using a combination of nuclear magnetic resonance chemical shift perturbation, structure-activity relationships, and site-directed mutagenesis, the binding of these compounds at the proline-rich peptide-binding site has been characterized. The most potent of these, 2-aminoquinoline, bound with Kd = 125 μM and was able to compete for binding with a proline-rich peptide. Synthesis of 6-substitued-2- aminoquinolines resulted in ligands with up to 6-fold improved affinity over 2-aminoquinoline and enhanced specificity for the Tec SH3 domain. Therefore, 2-aminoquinolines may potentially be useful for the development of high affinity small molecule ligands for SH3 domains.
- Inglis, Steven R.,Stojkoski, Cvetan,Branson, Kim M.,Cawthray, Jacquie F.,Fritz, Daniel,Wiadrowski, Emma,Pyke, Simon M.,Booker, Grant W.
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p. 5405 - 5417
(2007/10/03)
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