- Pyridylpyrazole N∧N ligands combined with sulfonyl-functionalised cyclometalating ligands for blue-emitting iridium(III) complexes and solution-processable PhOLEDs
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A series of blue iridium(iii) complexes (12-15) comprising sulfonyl-functionalised phenylpyridyl cyclometalating ligands and pyridylpyrazole N^N ligands are reported, with an X-ray crystal structure obtained for 12. The complexes are highly emissive with photoluminescence quantum yields of 0.52-0.70 in dichloromethane solutions: two of the complexes (12 and 14) show emissions at λPLmax 457 nm which is considerably blue-shifted compared to the archetypal blue emitter FIrpic (λmax 468 nm). The short excited state lifetimes (1.8-3.3 μs) and spectral profiles are consistent with phosphorescence from a mixture of ligand-centred and MLCT excited states. Density functional (DFT) and time dependent DFT (TD-DFT) calculations are in agreement with the electrochemical properties and the blue phosphorescence of the complexes. The additional mesityl substituent on the pyridylpyrazole ligand of 12 and 13 enhances the solubility of the complexes facilitating thin film formation by solution processing. Phosphorescent organic light-emitting diodes (PhOLEDs) have been fabricated using 12 or 13 in a solution-processed single-emitting layer using either poly(vinylcarbazole) (PVK) or 1,3-bis(N-carbazolyl)benzene (mCP) as host. The most blue-shifted electroluminescence (λELmax 460 nm, CIEx,y 0.15, 0.21) is obtained for an OLED containing complex 12 and mCP, with a brightness of 5400 cd m-2 at 10 V which is high for PhOLEDs with similar blue CIE coordinates using a solution-processed emitter layer.
- Benjamin, Helen,Fox, Mark A.,Batsanov, Andrei S.,Al-Attar, Hameed A.,Li, Chensen,Ren, Zhongjie,Monkman, Andrew P.,Bryce, Martin R.
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Read Online
- Thiocyanate-free Ru(II) sensitizers with a 4,4′-dicarboxyvinyl-2, 2′-bipyridine anchor for dye-sensitized solar cells
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A new class of thiocyanate-free Ru(II) sensitizers with 4,4′-dicarboxyvinyl-2,2′-bipyridine anchor and two trans-oriented pyrid-2-yl pyrazolate (or triazolate) functional chromophores is synthesized, characterized, and evaluated in dye-sensitized solar cells (DSCs). Despite their enhanced red response and absorptivity when compared to the parent sensitizer TFRS-2 that possesses standard 4,4′-dicarboxyl-2,2′-bipyridine anchor and shows the best conversion efficiency of η = 9.82%, the newly synthesized carboxyvinyl-pyrazolate sensitizers, TFRS-11-TFRS-13, exhibit inferior performance characteristics in terms of short-circuit current density (JSC), open-circuit voltage (VOC), and power conversion efficiency (η), the latter being recorded to be in the range 5.60-7.62%. The reduction in device efficiencies is attributed to a combination of poor packing of these sensitizers on the TiO2 surface and less positive ground-state oxidation potentials, which, respectively, increase charge recombination with I3- in electrolytes and impede the regeneration of sensitizers by I- anions. The latter obstacle can be circumvented in part by the replacement of the pyrazolates with triazolates, forming the TFRS-14 sensitizer, which exhibits an improved JSC, VOC, and η of 16.4 mAcm-2, 0.77 V, and 9.02%, respectively. Copyright
- Wu, Kuan-Lin,Ku, Wan-Ping,Wang, Sheng-Wei,Yella, Aswani,Chi, Yun,Liu, Shih-Hung,Chou, Pi-Tai,Nazeeruddin, Mohammad K.,Graetzel, Michael
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Read Online
- Preparation method of 2-cyano-4-fluoropyridine
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The invention discloses a preparation method of 2-cyano-4-fluoropyridine, which comprises the steps of by using 4-chloropyridine-2-methyl formate as a raw material, carrying out ester ammonolysis reaction, amide dehydration reaction and halogen exchange reaction to prepare the 2-cyano-4-fluoropyridine. The method is simple in synthesis process, mild in reaction condition, high in yield and good inproduct purity; the used raw materials are easy to obtain and low in cost, and the preparation method is suitable for industrial production.
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Paragraph 0015-0016; 0018-0019; 0021-0022
(2021/01/30)
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- A Transition-Metal-Free One-Pot Cascade Process for Transformation of Primary Alcohols (RCH2OH) to Nitriles (RCN) Mediated by SO2F2
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A new transition-metal-free one-pot cascade process for the direct conversion of alcohols to nitriles was developed without introducing an “additional carbon atom”. This protocol allows transformations of readily available, inexpensive, and abundant alcohols to highly valuable nitriles.
- Jiang, Ying,Sun, Bing,Fang, Wan-Yin,Qin, Hua-Li
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p. 3190 - 3194
(2019/05/21)
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- Discovery of N-(5-Fluoropyridin-2-yl)-6-methyl-4-(pyrimidin-5-yloxy)picolinamide (VU0424238): A Novel Negative Allosteric Modulator of Metabotropic Glutamate Receptor Subtype 5 Selected for Clinical Evaluation
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Preclinical evidence in support of the potential utility of mGlu5 NAMs for the treatment of a variety of psychiatric and neurodegenerative disorders is extensive, and multiple such molecules have entered clinical trials. Despite some promising results from clinical studies, no small molecule mGlu5 NAM has yet to reach market. Here we present the discovery and evaluation of N-(5-fluoropyridin-2-yl)-6-methyl-4-(pyrimidin-5-yloxy)picolinamide (27, VU0424238), a compound selected for clinical evaluation. Compound 27 is more than 900-fold selective for mGlu5 versus the other mGlu receptors, and binding studies established a Ki value of 4.4 nM at a known allosteric binding site. Compound 27 had a clearance of 19.3 and 15.5 mL/min/kg in rats and cynomolgus monkeys, respectively. Imaging studies using a known mGlu5 PET ligand demonstrated 50% receptor occupancy at an oral dose of 0.8 mg/kg in rats and an intravenous dose of 0.06 mg/kg in baboons.
- Felts, Andrew S.,Rodriguez, Alice L.,Blobaum, Anna L.,Morrison, Ryan D.,Bates, Brittney S.,Thompson Gray, Analisa,Rook, Jerri M.,Tantawy, Mohammed N.,Byers, Frank W.,Chang, Sichen,Venable, Daryl F.,Luscombe, Vincent B.,Tamagnan, Gilles D.,Niswender, Colleen M.,Daniels, J. Scott,Jones, Carrie K.,Conn, P. Jeffrey,Lindsley, Craig W.,Emmitte, Kyle A.
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p. 5072 - 5085
(2017/06/28)
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- Design, synthesis and antitumor activities of novel bis-aryl ureas derivatives as Raf kinase inhibitors
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A series of novel bis-aryl ureas containing trifluoromethyl imidazolyl group targeting Raf kinase were designed and synthesized based on the lead compound of Sorafenib. All the prepared compounds were evaluated for their in vitro antiproliferative activities against three human cancer cell lines including MDA-MB-231 (breast), BGC-823 (gastric), and SMMC-7721 (liver). Several compounds from the series exhibited excellent antitumor activities against all three tested cancer lines. Further their inhibitory activities against Raf kinase were investigated, and three compounds (11c, 11d, and 11p) demonstrated better activities than contrast drug Sorafenib. Especially compound 11c was found to be a potent and selective Raf kinase inhibitor and could be considered as a candidate compound for further development.
- Zhan, Wenhu,Li, Yanyang,Huang, Weiping,Zhao, Yanjin,Yao, Zhenglin,Yu, Shanyou,Yuan, Shoujun,Jiang, Falong,Yao, Shan,Li, Shuxin
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experimental part
p. 4323 - 4329
(2012/08/28)
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- A simple procedure for the preparation of 2-cyano-4-chloropyridines
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Figure represented. 4-Nitro-pyridine-N-oxides are reacted with ethylchloroformate and trimethylsilyl cyanide to give 4-chloro-2-cyanopyridine.
- Veerareddy, Arava,Surendrareddy, Gogireddy,Dubey
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experimental part
p. 961 - 964
(2011/09/16)
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- AZETIDINES AND CYCLOBUTANES AS HISTAMINE H3 RECEPTOR ANTAGONISTS
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The invention relates to compounds of formula (I) wherein R, R0, R1, m, n and X1 to X4 have the meaning as cited in the description and the claims. Said compounds are useful as Histamine H3 receptor antagonists. The invention also relates to pharmaceutical compositions, the preparation of such compounds as well as the production and use as medicament.
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Page/Page column 82
(2010/01/29)
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- The synthesis and microbiological activity of new 4-chloropyridin-2-yl derivatives
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Synthesis of 4-chloropicolinamidrazone derivatives starting from 4-chloropicolinamide is described. The desired compounds were formed by reactions of methyl 4-chloropicolinohydrazonamide or 4-chloro-N′-methylpicolinohydrazonamide with suitable counter partners (carbon disulfide, alkyl halides, aldehydes, ketones, carbohydrazonamides or isothiocyanates) or via 4-chloropicolinimidate, obtained by a convenient method from nitrile with catalytic amount of DBU. Selected products were screened for bacteriostatic and tuberculostatic activity.
- Bogdanowicz, Agnieszka,Foks, Henryk,Kedzia, Anna,Kwapisz, Ewa,Zwolska, Zofia,Augustynowicz-Kopec, Ewa
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experimental part
p. 2217 - 2231
(2010/04/29)
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- Substituted benzimidazoles and methods of preparation
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Methods for preparing new substituted benzimidazole compounds having formula (I) useful for treating kinase mediated disorders are provided wherein R1, R2, R3, R4, a, b, and c are defined herein
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Page/Page column 43
(2008/06/13)
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- Cinnamide and hydrocinnamide derivatives with kinase inhibitory activity
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The present invention provides novel cinnamide compounds useful as inhibitors of protein kinases. The invention also provides pharmaceutical compositions comprising the compounds of the invention and methods of using the compositions in the treatment of various diseases.
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Page/Page column 136
(2008/06/13)
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- METHODS OF TREATMENT OF AMYLOIDOSIS USING ASPARTYL-PROTEASE INHIBITORS
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The invention relates to acetyl 2-hydroxy-1,3-diaminospirocyclohexanes and derivatives thereof that are useful in treating diseases, disorders, and conditions associated with amyloidosis. Amyloidosis refers to a collection of diseases, disorders, and conditions associated with abnormal deposition of A-beta protein.
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Page/Page column 149
(2010/02/13)
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- Chemoenzymatic synthesis of chiral 4-(N,N-dimethylamino)pyridine derivatives
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Chiral 4-(N,N-dimethylamino)pyridine derivatives have been prepared through a chemoenzymatic synthesis where the enzymatic kinetic resolution of a family of 4-chloro-2-(1-hydroxyalkyl)pyridines is the key step for the formation of potentially important chiral catalysts. Pseudomonas cepacia lipase (PSL) showed excellent enantioselectivity in the acylation of the (R)-enantiomers (E > 200) using vinyl acetate as acylating agent and THF as solvent, obtaining products and substrates enantiomerically pure and with excellent yields.
- Busto, Eduardo,Gotor-Fernandez, Vicente,Gotor, Vicente
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p. 3427 - 3435
(2007/10/03)
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- 2-AMINO- AND 2-THIO-SUBSTITUTED 1,3-DIAMINOPROPANES
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Disclosed are compounds of the formula: where variables Q, Z, X, R15, R2, R3, and Rc are defined herein. Compounds disclosed herein are inhibitors of the beta-secretase enzyme and are therefore useful in the treatment of Alzheimer’s disease and other diseases characterized by deposition of A beta peptide in a mammal.
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Page/Page column 225-226
(2008/06/13)
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- SUBSTITUTED UREA AND CARBAMATE, PHENACYL-2-HYDROXY-3-DIAMINOALKANE, AND BENZAMIDE-2-HYDROXY-3-DIAMINOALKANE ASPARTYL-PROTEASE INHIBITORS
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The invention relates to acetyl 2-hydroxy-1,3-diaminospirocyclohexanes and derivatives thereof that are useful in treating at least one disease, disorder, and condition associated with amyloidosis. Amyloidosis refers to a collection of diseases, disorders, and condition associated with abnormal deposition of A-beta protein.
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Page/Page column 143
(2010/02/14)
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- 1,3-BENZOTHIAZINONE DERIVATIVES AND USE THEREOF
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This invention provides a compound represented by the formula (I) :wherein R1 is a hydrogen atom, a halogen atom, hydroxy, nitro, optionally halogenated alkyl, alkoxy optionally having substituents, acyl or amino optionally having substituents;R2 is pyridyl, furyl, thienyl, pyrrolyl, quinolyl, pyrazinyl, pyrimidinyl, pyridazinyl, indolyl, tetrahydroquinolyl or thiazolyl, each of which may have substituents;n is 1 or 2; or a salt. And this invention provides a safe pharmaceutical comprising the compound of the formula (I) , which has an excellent apoptosis inhibitory effect and MIF binding effect, for preventing and/or treating heart disease, nervous degenerative disease, cerebrovascular disease, central nervous infectious disease, traumatorathy, demyelinating disease, bone and articular disease, kidney disease, liver disease, osteomyelodysplasia, AIDS, cancer, and the like.
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- 2,3-substituted indole compounds as anti-inflammatory and analgesic agents
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This invention provides a compound of the following formula: or the pharmaceutically acceptable salts thereof wherein Z is OH, C1-6 alkoxy, —NR2R3 or heterocycle; Q is selected from the following: (a) an optionally substituted phenyl, (b) an optionally substituted 6-membered monocyclic aromatic group containing one, two, three or four nitrogen atom(s), (c) an optionally substituted 5-membered monocyclic aromatic group containing one heteroatom selected from O, S and N and optionally containing one, two or three nitrogen atom(s) in addition to said heteroatom, (d) an optionally substituted C3-7 cycloalkyl and (e) an optionally substituted benzo-fuzed heterocycle; R1 is hydrogen, C1-4 alkyl or halo; R2 and R3 are independently hydrogen, OH, C1-4 alkoxy, C1-4 alkyl or C1-4 alkyl substituted with halo, OH, C1-4 alkoxy or CN; X is independently selected from H, halo, C1-4 alkyl, halo-substituted C1-4 alkyl, OH, C1-4 alkoxy, halo-substituted C1-4 alkoxy, C1-4 alkylthio, NO2, NH2, di-(C1-4 alkyl)amino and CN; and n is 0, 1, 2, 3 and 4.This invention also provides a pharmaceutical composition useful for the treatment of a medical condition in which prostaglandins are implicated as pathogens.
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- Tetrazolylalkyl indole compounds as anti-inflammatory and analgesic agents
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This invention provides a compound of the following formula: or the pharmaceutically acceptable salts thereof wherein Z is tetrazolyl optionally substituted with a substituent selected from C1-4 alkyl and halosubstituted C1-4 alkyl;A is C1-6 alkylene; Q is selected from the following groups: (a) optionally substituted phenyl; (b) an optionally substituted, partially saturated, fully saturated or fully unsaturated five to six membered monocyclic group having one to three heteroatoms; and (c) an optionally substituted, bicyclic group consisting of two fused partially saturated, fully saturated or fully unsaturated five or six membered rings independently and optionally having one to four heteroatoms; X is halogen, C1-4 alkyl, halosubstituted C1-4 alkyl, OH, C1-4 alkoxy or the like; and n is 0, 1, 2, 3 or 4. This invention also provides a pharmaceutical composition useful for the treatment of a medical condition in which prostaglandins are implicated as pathogens.
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- Indole compounds as COX-2 inhibitors
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This invention provides a compound of the following formula: and the pharmaceutically acceptable salts thereof, wherein L is oxygen or sulfur; Y is a direct bond or C1-4alkylidene; Q is C1-6alkyl, C3-7cycloalkyl, phenyl, naphthyl, heteroaryl or the like; R1is hydrogen, C1-6alkyl or the like; R2is hydrogen, C1-4alkyl, C(O)R5wherein R5is C1-22alkyl or C2-22alkenyl, halosubstituted C1-8alkyl, halosubstituted C2-8alkenyl, —Y—C3-7cycloalkyl, —Y—C3-7cycloalkenyl, phenyl, naphthyl, heteroaryl or the like; X is halo, C1-4alkyl, hydroxy, C1-4alkoxy or the like; and n is 0, 1, 2 or 3, with the proviso that a group of formula —Y—Q is not methyl or ethyl when X is hydrogen; L is oxygen; R1is hydrogen; and R2is acetyl. This invention also provides a pharmaceutical composition useful for the treatment of a medical condition in which prostaglandins are implicated as pathogens.
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- Synthesis of 4-[4'-(N,N-dimethylsulfamoyl)piperazin-1-YL]-pyridine derivatives as sorbitol dehydrogenase potential inhibitors
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A synthesis of various pyridines disubstituted in position 4 by a [4'- (N,N-dimethylsulfamoyl)piperazin-1-yl] group and in position 2 by different functionalities such as hydrogen, hydroxymethyl, formyl, carboxamido or cyano, is described.
- Varlet, Didier,Fourmaintraux, Eric,Depreux, Patrick,Lesieur, Daniel
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p. 797 - 804
(2007/10/03)
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- Antipruritic composition
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An antipruritic composition for an oral medicine, injection, and external medicine, comprising an effective amount of a chelated zinc (e.g., zinc picolinate) as an antipruritic agent.
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