- Diastereoisomers of Ruthenium Dyes with Unsymmetric Ligands for DSC: Fundamental Chemistry and Photovoltaic Performance
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A new thiocyanic acid-free ruthenium sensitizer, CYC-B29, containing two unsymmetrical ancillary ligands, was synthesized, and its three diastereoisomers CYC-B29-CC, CYC-B29-TT, and CYC-B29-CT with significantly different optical, electronic, and electrochemical properties were carefully separated. CYC-B29-TT with the smallest size has the strongest absorption coefficient of the MLCT band, the shortest λmax, the lowest highest occupied molecular orbital level and the highest dye loading. Therefore, dye-sensitized solar cell based on CYC-B29-TT has the highest efficiency, which is two times higher than that of CYC-B29-CC-sensitized device and 10% higher than that of N719-based cell. Time-dependent density functional theory-calculated transition bands for the three isomers are not identical, and only CYC-B29-TT has the calculated transition bands close to the experimental absorption profile. Although the calculated transition bands for CYC-B29-CC and CYC-B29-CT are not consistent with the experimental data, the ground-state vertical excitation energy with oscillator strength and electron-density difference map data combining with the dye loading predict correctly the order of the photocurrent for the three isomers sensitized devices.
- Li, Jheng-Ying,Lee, Chia,Chen, Chia-Yuan,Lee, Wen-Long,Ma, Ren,Wu, Chun-Guey
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- Magnetic susceptibility study of copper(II) halide complexes with 4-substituted pyridine N-oxides
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The magnetic susceptibilities have been measured for 12 1:1 copper(II) halide complexes with 4-substituted pyridine N-oxides from 77°K to near the melting or decomposition temperatures. The magnetic susceptibility data were least-squares fitted to a modified Bleaney-Bowers equation. The correlations of the exchange energy, 2J, with the reflectance spectra and the substituent parameter σR are discussed in terms of the molecular and crystal structures.
- Kidd,Watson
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Read Online
- Visible-Light-Induced Decarboxylative Acylation of Pyridine N-Oxides with α-Oxocarboxylic Acids Using Fluorescein Dimethylammonium as a Photocatalyst
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Herein, the development of a visible-light-induced catalytic system to achieve the decarboxylative acylation of pyridine N-oxides with α-oxocarboxylic acids, at room temperature and using the organic dye fluorescein dimethylammonium as a new type of photocatalyst, is reported. A series of 2-arylacylpyridine N-oxides were selectively synthesized in moderate to good yields by controlling the polarity of the reaction solvent. The developed strategy was successfully applied in the synthesis of an important intermediate of the drug, acrivastine, on a gram scale. Notably, this is the first time that fluorescein dimethylammonium has been used to catalyze the Minisci-type C?H decarboxylative acylation reaction. The mechanism of decarboxylative acylation was studied by capturing adducts of acyl radicals and 1,1-diphenylethylene to confirm a radical mechanism. The disclosed catalytic system provides a green synthetic strategy for decarboxylative acylation without the use of additional oxidants or metal catalysts. (Figure presented.).
- Hou, Chuanfu,Sun, Shouneng,Liu, Ziqi,Zhang, Hui,Liu, Yue,An, Qi,Zhao, Jian,Ma, Junjie,Sun, Zhizhong,Chu, Wenyi
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supporting information
p. 2806 - 2812
(2021/04/15)
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- PI3K INHIBITORS AND USES THEREOF
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The development of a new, targeted drug delivery paradigm coupled to improved PI3K inhibitors (e.g., PI3Kα inhibitors) represents a significant advance in cancer therapy. Provided herein are compounds, such as compounds of Formula (I) and (II), and pharmaceutically acceptable salts, hydrates, solvates, polymorphs, co-crystals, tautomers, stereoisomers, isotopically labeled derivatives, and prodrugs thereof. The compounds provided herein are PI3K (e.g., PI3Kα) inhibitors and are therefore useful for the treatment and/or prevention of various diseases (e.g., proliferative diseases such as cancer). Also provided herein are nanoparticles and nanogels (e.g., P-selectin targeting nanoparticles) comprising PI3K inhibitors, such a compound described herein. In certain embodiments, a nanoparticle or nanogel described herein encapsulates a compound described herein for targeting delivery to cancer cells or tumors.
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Paragraph 00364-00365
(2020/05/15)
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- Structure-activity relationship studies for the development of inhibitors of murine adipose triglyceride lipase (ATGL)
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High serum fatty acid (FA) levels are causally linked to the development of insulin resistance, which eventually progresses to type 2 diabetes and non-alcoholic fatty liver disease (NAFLD) generalized in the term metabolic syndrome. Adipose triglyceride lipase (ATGL) is the initial enzyme in the hydrolysis of intracellular triacylglycerol (TG) stores, liberating fatty acids that are released from adipocytes into the circulation. Hence, ATGL-specific inhibitors have the potential to lower circulating FA concentrations, and counteract the development of insulin resistance and NAFLD. In this article, we report about structure–activity relationship (SAR) studies of small molecule inhibitors of murine ATGL which led to the development of Atglistatin. Atglistatin is a specific inhibitor of murine ATGL, which has proven useful for the validation of ATGL as a potential drug target.
- Breinbauer, Rolf,Doler, Carina,Fuchs, Elisabeth,Grabner, Gernot F.,Mayer, Nicole,Melcher, Michaela-Christina,Migglautsch, Anna K.,Romauch, Matthias,Schweiger, Martina,Zechner, Rudolf,Zimmermann, Robert
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supporting information
(2020/07/13)
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- New Pyridinium Ylide Dyes for Dye Sensitized Solar Cell Applications
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Novel organic pyridinium ylide sensitizers (NO109-111) consisting of various anchoring groups were synthesized and characterized for applications in dye sensitized solar cells. Compared with the pyridine-N-oxide dye (NO108), the ylide sensitizers with strong electron-withdrawing acceptors exhibited dominant ultraviolet absorption properties and efficient binding abilities to the TiO2 surface. Among these dyes, the pyridinium ylide NO111 sensitized solar cell showed the highest efficiency (5.15%), which was improved to 7.41% by employing coadsorbent chenodeoxycholic acid.
- Li, Ting-Yu,Su, Chaochin,Akula, Suri Babu,Sun, Wei-Gang,Chien, Hung-Ming,Li, Wen-Ren
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supporting information
p. 3386 - 3389
(2016/07/26)
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- Base free regioselective synthesis of α-triazolylazine derivatives
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A regioselective α-heteroarylation followed by deoxygenation towards the synthesis of variety of azine triazole from simple azine N-oxides derivatives and N-tosyl-1,2,3-triazoles has been described. The reaction is metal free and base free with shorter reaction time, high yields and a broad substrate scope.
- Harisha, Mysore Bhyrappa,Nagaraj, Muthupandi,Muthusubramanian, Shanmugam,Bhuvanesh, Nattamai
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p. 58118 - 58124
(2016/07/06)
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- HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS
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The present invention provides a heterocyclic compound of formula (I), a pharmaceutically acceptable salt thereof, a prodrug thereof or a hydrate thereof, wherein A, A′ B, D, R1, R2 and R3 are as defined herein, a pharmaceutical composition comprising a compound of formula (I) as an active ingredient, methods of production, and methods of use thereof. Particularly, the present invention provides a compound of formula (I) useful for treating or preventing a disease, condition or disorder associated with protein kinases, preferably Janus Kinase family.
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Paragraph 0767
(2014/06/23)
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- Catalytic N-oxidation of tertiary amines on RuO2NPs anchored graphene nanoplatelets
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Ultrafine ruthenium oxide nanoparticles (RuO2NPs) with an average diameter of 1.3 nm were anchored on graphene nanoplatelets (GNPs) using a Ru(acac)3 precursor by a very simple dry synthesis method. The resultant material (GNPs-RuO2NPs) was used as a heterogeneous catalyst for the N-oxidation of tertiary amines for the first time. The transmission electron microscopy (TEM) images of the GNPs-RuO2NPs showed the excellent attachment of RuO2NPs on GNPs. The loading of Ru in GNPs-RuO2NPs was 2.68 wt%, as confirmed by scanning electron microscope-energy dispersive spectroscopy (SEM-EDS). The X-ray photoelectron spectrum (XPS) and the X-ray diffraction pattern (XRD) of GNPs-RuO 2NPs revealed that the chemical state of Ru on GNPs was +4. After the optimization of reaction conditions for N-oxidation of triethylamine, the scope of the reaction was extended to various aliphatic, alicyclic and aromatic tertiary amines. The GNPs-RuO2NPs showed excellent catalytic activity in terms of yields even at a very low amount of Ru catalyst (0.13 mol%). The GNPs-RuO2NPs was heterogeneous in nature, chemically as well as physically, very stable and could be reused up to 5 times. The Royal Society of Chemistry 2014.
- Gopiraman, Mayakrishnan,Bang, Hyunsik,Babu, Sundaram Ganesh,Wei, Kai,Karvembu, Ramasamy,Kim, Ick Soo
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p. 2099 - 2106
(2014/06/24)
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- Expedient synthesis of α-(2-azaheteroaryl) acetates via the addition of silyl ketene acetals to azine- N -oxides
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A new and expedient synthesis of α-(2-azaheteroaryl) acetates is presented. The reaction proceeds rapidly under mild conditions via the addition of silyl ketene acetals to azine-N-oxides in the presence of the phosphonium salt PyBroP. This procedure affords diverse α-(2-azaheteroaryl) acetates which are highly desirable components/building blocks in molecules of pharmaceutical interest but are traditionally challenging to synthesize via contemporary methods. The reaction optimization and mechanism as well as a novel electronically enhanced PyBroP derivative are described.
- Londregan, Allyn T.,Burford, Kristen,Conn, Edward L.,Hesp, Kevin D.
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supporting information
p. 3336 - 3339
(2014/07/08)
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- HETEROCYCLIC COMPOUNDS AS PROTEIN KINASE INHIBITORS
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The present invention provides a heterocyclic compound of formula (I), a pharmaceutically acceptable salt thereof, a prodrug thereof or a hydrate thereof, wherein A, A' B, D, R1, R2 and R3 are as defined herein, a pharmaceutical composition comprising a compound of formula (I) as an active ingredient, methods of production, and methods of use thereof. Particularly, the present invention provides a compound of formula (I) useful for treating or preventing a disease, condition or disorder associated with protein kinases, preferably Janus Kinase family.
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Page/Page column 126-127
(2012/12/13)
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- Substituted 4-Hydroxypyrimidine-5-Carboxamides
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The present invention relates to substituted 4-hydroxypyrimidine-5-carboxamides useful as HIF prolyl hydroxylase inhibitors to treat anemia and like conditions.
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Page/Page column 24
(2009/10/01)
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- Syntheses of sterically hindered zwitterionic pyridinium phenolates as model compounds in nonlinear optics
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Pyridinium phenolates possess a dissymmetric delocalised π-electron system providing a huge quadratic nonlinearity. They are a promising class of molecules for applications in photoelectronics and photonics. Semiempirical calculations indicate that the interplanar angle between the two aromatic rings leads to enhancement in the NLO properties of these compounds. The confirmation of this feature may be provided by the study of a new series of sterically hindered pyridinium phenolates 2a-e bearing two tert-butyl substituents at the ortho position(s) of the phenolate functionality. Such bulky groups would enhance the solubility of zwitterions in organic solvents and would limit the formation of aggregates. Their efficient preparations by using Suzuki cross-coupling reactions involving 3,5-dialkylated 4-bromopyridine N-oxides are described herein. Wiley-VCH Verlag GmbH & Co. KGaA, 2008.
- Diemer, Vincent,Chaumeil, Helene,Defoin, Albert,Fort, Alain,Boeglin, Alex,Carre, Christiane
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experimental part
p. 1767 - 1776
(2009/04/11)
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- Cyclic diamine compound with 6-membered ring groups
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A cyclic diamine compound of formula (1): wherein A is a single bond or C≡C; X and Y are individually CH or a nitrogen atom; m is 1 or 2; and n is a number of 1 to 5; an acid-addition salt thereof, or a hydrate thereof. The compound has excellent inhibitory effects on both cell adhesion and cell infiltration and is useful as a medicine for prevention or treatment of diseases such as allergy, asthma, rheumatism, arteriosclerosis and inflammation.
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- Evidence for cyclodextrin dioxiranes. Part 2. Catalytic and enantioselective properties of cyclodextrin dioxiranes formed from keto-derivatised hydroxypropyl-cyclodextrins
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Following our recent study of the bromine oxidation, at neutral pH, of α-cyclodextrin, β-cyclodextrin, O-methylated β-cyclodextrins and sucrose, which yield ketone and carboxylic acid-containing materials in the oxidation products (M.E. Deary, D.M. Davies, Carbohydr. Res., 309 (1998) 17), we have extended the work to hydroxypropyl-α-cyclodextrin and hydroxypropyl-β-cyclodextrin. 13C NMR analysis confirms the presence of ketone groups (δ 207) in the oxidation products of both of these compounds. The continued ability of the products of these oxidations to complex p-nitrophenol demonstrates that ring integrity is maintained. The ketone-containing products are capable of catalysing the peroxomonosulfate (PMS) oxidation of a range of substrates including aryl alkyl sulfoxides, pyridine, 4-bromopyridine, aniline, 4-aminobenzoate, 4-bromoaniline and several amino acids, most probably by the formation of a more reactive cyclodextrin-dioxirane intermediate. A small degree of enantioselectivity is observed in the oxidation of (R)-(+)- and (S)-(-)-methyl p-tolyl sulfoxide by PMS in the presence of the keto derivative of hydroxypropyl-α-cyclodextrin, though not for the β analogue. Copyright (C) 1999 Elsevier Science Ltd.
- Deary, Michael E.,Davies, D. Martin
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- New description of substituent effect on electronic spectra by means of substituent constants-VI. Ultraviolet spectra of 4-substituted pyridine N-oxides and blue shifted iodine bands of their EDA complexes with iodine
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Electronic spectra of 4-substituted pyridine N-oxides and their EDA complexes with iodine were studied.The substituent effect on the near u.v. 1A1 intramolecular CT bands of the N-oxides and on the blue shifted iodine bands caused by CT complex formation are discussed in terms of a general equation, theoretically derived in order to describe the substituent effect on electronic spectra by means of substituent constants.The results are quite successful and supported by semi-empirical SCFMO-Cl calculations.Based on the results mentioned above, the character of n-? type N-oxide-iodine CT complexes is also examined.The complex formation constants(log K) and pKa values of the N-oxides correlate especially well, indicating that the CT interaction mechanism cannot be neglected in proton addition reactions such as hydrogen bonding and pKa values.
- Uno, Bunji,Kano, Kenji,Kaida, Naoki,Kubota, Tanekazu
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p. 937 - 944
(2007/10/02)
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