- Enhanced vapor-phase processing in fluorinated Fe4 single-molecule magnets
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A new tetrairon(III) single-molecule magnet with enhanced volatility and processability was obtained by partial fluorination of the ancillary β-diketonato ligands. Fluorinated proligand Hpta = pivaloyltrifluoroacetone was used to assemble the bis(alkoxido
- Rigamonti, Luca,Piccioli, Marco,Malavolti, Luigi,Poggini, Lorenzo,Mannini, Matteo,Totti, Federico,Cortigiani, Brunetto,Magnani, Agnese,Sessoli, Roberta,Cornia, Andrea
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- A contamination-insensitive probe for imaging specific biomolecules by secondary ion mass spectrometry
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Imaging techniques should differentiate between specific signals, from the biomolecules of interest, and non-specific signals, from the background. We present a probe containing 15N and 14N isotopes in approximately equal proportion, for secondary ion mass spectrometry imaging. This probe designed for a precise biomolecule analysis is insensitive to background signals.
- Kabatas, Selda,Vreja, Ingrid C.,Saka, Sinem K.,H?schen, Carmen,Kr?hnert, Katharina,Opazo, Felipe,Rizzoli, Silvio O.,Diederichsen, Ulf
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- Scavenging Reaction of Solvated Electron Produced by UV Laser from Iodide Anion in Liquid Beam
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A sodium iodide (NaI) solution in ethanol was introduced into vacuum as a continuous liquid flow (liquid beam) and irradiated with a 220 nm UV laser.Cluster cations containing ethoxide such as Na+(NaOEt), Na+(NaI)n(NaOEt) (n = 1-4), and Na+(NaI)n(NaOEt)2 (n = 1-4) were observed by a time-of-flight (TOF) mass spectrometer.Furthermore, addition of NH4+ or n-BuOH into the NaI ethanol solution resulted in suppressing the intensities of the peaks associated with these cluster ions.It is concluded that the ethoxide is produced by a scavenging reaction of a solvated electron with an ethanol molecule, and the reaction of the ethoxide formation competes with a scavenging reaction by NH4+ or n-BuOH.The rate equations of these competing processes predict the dependence of the ethoxide formation on the concentration of NH4+ or n-BuOH.Similar reaction products were observed from alcohol solutions of several iodides.
- Matsumura, Hisashi,Mafune, Fumitaka,Kondow, Tamotsu
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- Characterization of new Co(II) complexes and photographic monitoring for their toxic impact on breast cancer cells according to simulation study
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Five new nitrogen-rich ligands (thioanhydrides) were synthesized and fully characterized. Then, their corresponding Co(II) complexes were prepared and also elucidated by analytical and spectral conformational techniques. First of all, the mono-negative tr
- Shah, Reem,Habeebullah, Turki M.,Saad, Fawaz,Althagafi, Ismail,Al-dawood, Aisha Y.,Al-Solimy, Amerah M.,Al-Ahmed, Zehba A.,Al-Zahrani, Fatimah,Farghaly, Thoraya A.,El-Metwaly, Nashwa
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- Synthesis of new polysubstituted (pyrazoles, pyrimidines and quinolines) five and six-membered heterocycles: Reaction of α,α-dioxoketene dithioacetals with nucleophiles
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A novel synthesis of polysubstituted pyrazoles 3a-d, pyrimidines 4a-f and quinolines 5a-c via the reaction of α,α-oxoketene dithioacetals 2a-c with hydrazine hydrate, malonohydrazide, urea, thiourea and aniline is reported and the synthetic potential of the method is demonstrated. The structure of the new compounds was established upon their elemental analysis, IR, 1H NMR and 13C NMR.
- Ebraheem,Lokanatha Rai,Kudva.n,Bahjat
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- Synthesis and photophysical properties of europium pentafluorinated β-diketonate complexes
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Two pentafluorinated β-diketone ligands, 4,4,5,5,5-pentafluoro-1-(4-methoxyphenyl)pentane-1,3-dione (PFMP) and 4,4,5,5,5-pentafluoro-1-(4-dimethyl amino-phenyl)pentane-1,3-dione (PFAP), had been employed to synthesize six novel europium (III) complexes wi
- Wan, Yupeng,Lyu, Heng,Du, Hengyi,Wang, Dunjia,Yin, Guodong
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- Iron(ii) complexes of 2,6-di(1H-pyrazol-3-yl)-pyridine derivatives with hydrogen bonding and sterically bulky substituents
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Syntheses of 2,6-di(5-aminopyrazol-3-yl)pyridine (L1), 2,6-di(5-tertbutylcarboxamidopyrazol-3-yl)pyridine (L2), 2,6-di(5-tertbutylpyrazol-3-yl)pyridine (L3), 2-(5-tertbutylpyrazol- 3-yl)-6-(5-methylpyrazol-3-yl)pyridine (L4) and 2-(5- tertbutylpyrazol-3-yl)-6-(5-aminopyrazol-3-yl)pyridine (L5) are reported. Iron complex salts of the first four ligands were crystallographically characterised. The structures exhibit intermolecular hydrogen bonding between the cations and the anions and/or solvent, leading to a fluorite (flu) net, a 1D ladder structure, and a homochiral self-penetrating helical network related to the (10,3)-a (srs) topology. All the complexes are high-spin in the crystal, and bulk samples are also fully or predominantly high-spin at room temperature and below although two of the dried materials exhibit partial spin-state transitions on cooling. This journal is the Partner Organisations 2014.
- Roberts, Thomas D.,Little, Marc A.,Kershaw Cook, Laurence J.,Halcrow, Malcolm A.
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- Further studies on the biodegradation of ionic liquids
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A range of ionic liquids (ILs) containing a pyridinium cation were synthesised and their biodegradability was evaluated using the CO2 headspace test (ISO 14593). ILs bearing a 1-(2-hydroxyethyl) side chain were prepared from either pyridine or nicotinic acid derivatives. These ILs showed high levels of biodegradation under aerobic conditions and can be classified as 'readily biodegradable'. In contrast, pyridinium ILs with methyl or ethyl ether side chains showed significantly lower levels of biodegradability in the same test. Biodegradation studies on a range of novel ILs with acetal and carbamate functionalities, as well as thiazolium-based salts, also showed low levels of mineralization.
- Ford, Leigh,Harjani, Jitendra R.,Atefi, Farzad,Garcia, M. Teresa,Singer, Robert D.,Scammells, Peter J.
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- The AAAA?DDDD hydrogen bond dimer. Synthesis of a soluble sulfurane as AAAA domain and generation of a DDDD counterpart
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Sulfurane 5b with solubility enhancing substituents has been synthesized to be used as an AAAA recognition site in quadruple hydrogen bond heterodimers. A complementary DDDD partner [4b + H+] has been generated from a DDAD domain 4b by protonation. The association constant for the heterodimer complex formation has been determined by NMR titration in chloroform. CSIRO 2009.
- Taubitz, Joerg,Luening, Ulrich
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- Synthesis and nicotinic activity of epiboxidine: An isoxazole analogue of epibatidine
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Synthetic (±)-epiboxidine (exo-2-(3-methyl-5-isoxazolyl)-7-azabicyclo[2.2.1]heptane) is a methylisoxazole analog of the alkaloid epibatidine, itself a potent nicotinic receptor agonist with antinociceptive activity. Epiboxidine contains a methylisoxazolyl ring replacing the chloropyridinyl ring of epibatidine. Thus, it is also an analog of another nicotinic receptor agonist, ABT 418 ((S)-3-methyl-5-(1-methyl-2-pyrrolidinyl)isoxazole), in which the pyridinyl ring of nicotine has been replaced by the methylisoxazolyl ring. Epiboxidine was about 10-fold less potent than epibatidine and about 17-fold more potent than ABT 418 in inhibiting [3H]nicotine binding to α4β2 nicotinic receptors in rat cerebral cortical membranes. In cultured cells with functional ion flux assays, epiboxidine was nearly equipotent to epibatidine and 200-fold more potent than ABT 418 at α3β(4(5)) nicotinic receptors in PC12 cells. Epiboxidine was about 5-fold less potent than epibatidine and about 30-fold more potent than ABT 418 in TE671 cells with α1β1γδ nicotinic receptors. In a hot-plate antinociceptive assay with mice, epiboxidine was about 10-fold less potent than epibatidine. However, epiboxidine was also much less toxic than epibatidine in mice.
- Badio, Barbara,Garraffo, H. Martin,Plummer, Carlton V.,Padgett, William L.,Daly, John W.
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- Crystal structure of sodium ethoxide (C2H5ONa), unravelled after 180 years
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As early as 1837, Liebig synthesised solid C2H5ONa. Today, C2H5ONa is one of the standard bases in organic synthesis. Here, we report the identification of different solid phases and the crystal structures and p
- Beske, Maurice,Tapmeyer, Lukas,Schmidt, Martin U.
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- Substituent dependence on the spin crossover behaviour of mononuclear Fe(ii) complexes with asymmetric tridentate ligands
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Three mononuclear iron(ii) complexes of the formula [FeII(H2L1-3)2](BF4)2·x(solv.) (H2L1-3 = 2-[5-(R-phenyl)-1H-pyrazole-3-yl] 6-benzimidazole pyridine; H2L1: R = 4-methylphenyl, H2L2, R = 2,4,6-trimethylphenyl, H2L3, R = 2,3,4,5,6-pentamethylphenyl) (1, H2L1; 2, H2L2; 3, H2L3) with asymmetric tridentate ligands (H2L1-3) were synthesized and their structures and magnetic behaviour investigated. Significant structural distortions of the dihedral angles between phenyl and pyrazole groups were observed and found to depend on the nature of the substituent groups. Cryomagnetic studies reveal that 1 and 2 show gradual spin crossover behavior, while 3 remains in the high spin state between 1.8 and 300 K.
- Saiki, Ryo,Miyamoto, Haruka,Shiga, Takuya,Oshio, Hiroki,Sagayama, Hajime,Kumai, Reiji,Newton, Graham N.
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- Molecular Routes to Group IV Magnesium and Calcium Nanocrystalline Ceramics
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The effect of alkaline-earth-metal alkoxides on the protonolysis of Cp2M′Cl2 (M′ = Ti, Zr, Hf; Cp = cyclopentadiene) was investigated. This approach enabled the design of compounds with well-defined molecular structures to generate high-purity binary metal oxides. Single-source molecular precursors with structures of [M2M′2(μ3-OEt)2(μ-OEt)4(OEt)6(EtOH)4] with M = Mg and M′ = Ti (1), Zr (2), and Hf (3), [Ca6Ti4(μ6-O)2(μ4-O)2(μ3-OEt)12(OEt)12(EtOH)6Cl4] (4), and [M2M′2(μ4-O)(μ-OEt)5(OEt)4(EtOH)4Cl]n with M = Ca and M′ = Zr (5) and Hf (6) were prepared via elimination of the cyclopentadienyl ring from Cp2M′Cl2 as CpH in the presence of M(OEt)2 and ethanol (EtOH) as a source of protons. Meanwhile, similar reactions involving the initial substitution of Cl ligands by OEt groups in Cp2M′Cl2 (M′ = Ti, Zr, Hf) resulted in the formation of [M2M′2(μ3-OEt)2(μ-OEt)4(OEt)6(EtOH)4] with M = Ca and M′ = Ti (7), Zr (8), and Hf (9). The precursors were characterized by elemental analysis, NMR spectroscopy, and single-crystal X-ray structural analysis. Magnesium compounds 1-3 decomposed at 750-850 °C to give MgTiO3 along with small amounts of Mg2TiO4, Mg2Zr5O12, or Mg2Hf5O12 binary metal oxides. The thermolysis of calcium compounds 4 and 7-9 led to highly pure CaTiO3, CaZrO3, or CaHfO3 perovskite-like oxide particles with diameters of 20-30 nm.
- Petrus, Rafa?,Dr?g-Jarz?bek, Anna,Utko, Józef,Bykowski, Dominik,Lis, Tadeusz,Sobota, Piotr
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- Catalyst system for producing polyethylene copolymers in a high temperature solution polymerization process
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Catalyst system for producing ethylene copolymers in a high temperature solution process, the catalyst system comprising: (i) a metallocene complex of formula (I) wherein M is Hf or a mixture with Zr, provided that more than 50% by moles of the complex of Formula I has M=Hf; X is a sigma ligand; R are the same or different from each other and can be saturated linear or branched C1-C10 alkyl, C6-C10 aryl, C4-C10 heteroaryl, C6-C20 alkylaryl or C6-C20 arylalkyl groups, which can optionally contain up to 2 heteroatoms or silicon atoms; R1 is a C6-C10 aryl or C6-C20 alkylaryl group optionally containing up to 2 heteroatoms or silicon atoms or a C4-C10 heteroaryl group; R2 is a C4-C20 cycloalkyl group, optionally carrying alkyl substituents in beta-positions, of formula (II) in which R′ can be the same or can be different from each other and can be hydrogen or is defined as R and n is 1 to 17; and (ii) a boron containing cocatalyst.
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- Synthesis and characterization of new 5,5′-dimethyl- and 5,5′-diphenylhydantoin-conjugated hemorphin derivatives designed as potential anticonvulsant agents
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Herein, the synthesis and characterization of some novel N-modified hybrid analogues of hemorphins containing a C-5 substituted hydantoin residue as potential anticonvulsants and for the blockade of sodium channels are presented. Their structure-property relationships are highlighted by electrochemical and Fourier transform infrared spectroscopy (FT-IR) analysis methods. The lipophilicity and molecular docking of voltage-gated sodium channels were also determined. The new series of 5,5′-dimethyl- and 5,5′-diphenylhydantoin-conjugated hemorphin derivatives were obtained as C-terminal amides via solid-phase peptide synthesis, an Fmoc-strategy using 2-(1H-benzotriazole-1-yl)-1,1,3,3-tetramethylaminium tetrafluoroborate (TBTU). The anticonvulsant activity of the hybrid-peptides (0.25, 0.5 and 1 μg) was tested by maximal electroshock (MES) and 6 Hz psychomotor seizure tests using male ICR mice. None of the compounds tested showed neurotoxicity in the rotarod test. The reference drug phenytoin was used as a positive control. The most active compound Ph-5 showed 100% efficacy against the 6 Hz-induced psychomotor seizures at a dose of 1.0 μg and tonic seizures in the MES test at a lower dose of 0.5 μg. This analogue of VV-hemorphin-5 contained a 5,5′-diphenylhydantoin residue at the N-terminus and a hydrophobic Val-Val-Tyr-Pro-Trp-Thr-Gln-CONH2 amino acid sequence of the peptide molecule. The quantitative data for the 6 Hz test demonstrated that the peptide Ph-5 exhibited a median effective dose (ED50) value of 0.358 μg and PI >13.97, and ED50 of 0.25 μg and PI >20.35 in the MES test, respectively. Results from the docking study suggest that the neuropeptide Ph-5 is a potent inhibitor of sodium channels, and blockade of voltage-gated sodium channels could be the mechanism of action of the hybrid-peptide derivatives with anticonvulsant activity.
- Georgieva, Stela,Peneva, Petia,Rangelov, Miroslav,Tchekalarova, Jana,Todorov, Petar,Todorova, Nadezhda
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p. 2198 - 2217
(2022/02/16)
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- COMPOSITIONS AND METHODS FOR TREATING CNS DISORDERS
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Provided herein are compounds of Formula (I-I): and pharmaceutically acceptable salts thereof; wherein p, R1, R3a, R2a, R11a, R11b, R6a, and R6b are defined herein. Also provided herein are pharmaceutical compositions comprising a compound of Formula (I-X) and methods of using the compounds, e.g., in the treatment of CNS-related disorders.
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Paragraph 0566-0567
(2019/07/13)
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- NOVEL DEUTERIUM SUBSTITUTED POSITRON EMISSION TOMOGRAPHY (PET) IMAGING AGENTS AND THEIR PHARMACOLOGICAL APPLICATION
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The present invention relates to deuterated compounds according to Formula I-A, Formula II-A, Formula II-D, and Formula III-A. These compounds can be used as PET imaging agents for evaluating Parkinson's Disease, Alzheimer Disease, and for determining specific serotonin reuptake inhibitor (SSRIi) activity for treatment of depression. The present invention also relates to pharmaceutical compositions comprising a pharmaceutical acceptable carrier and a compound of Formula I-A, Formulae II-A, Formula II-D, or Formula III-A, or a pharmaceutically acceptable salt thereof.
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Paragraph 0146; 0147
(2019/01/05)
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- Cyclopropyl acetone and synthesis method thereof
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The invention discloses cyclopropyl acetone and a synthesis method thereof. The synthesis method comprises the following steps: adding sodium into anhydrous ethanol while stirring, cooling the mixture, generating reaction, and recycling ethanol to obtain a mixed solution; adding cyclopropyl acetone into the mixed solution, stirring the cyclopropyl acetone and the mixed solution, adding ethyl acetate which is 1/3 of the mass, generating reflux reaction, and recycling ethanol; then cooling the product, adding ethyl acetate which is 1/3 of the mass, generating reflux reaction, and recycling ethanol; cooling the product again, adding ethyl acetate which is 1/3 of the mass, generating reflux reaction, recycling ethanol and the ethyl acetate at negative pressure, and storing the product at reduced temperature, thus obtaining a cyclopropyl acetone sodium salt solution; adjusting the pH of the cyclopropyl acetone sodium salt solution to be 2 to 3, stirring the solution, standing still the solution, taking upper brown red liquid for fractionation, and obtaining the cyclopropyl acetone. The content of the obtained cyclopropyl acetone is about 90 percent, and the yield is more than 90 percent; the synthesis method is mild in reaction conditions, high in catalysis efficiency, low in energy consumption, low in cost, high in safety and suitable for large-scale production of an enterprise, and the product is easy to recycle.
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Paragraph 0030-0032; 0037-0039; 0043-0045; 0049-0051
(2018/12/13)
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- Preparation method of sodium ethoxide
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The invention relates to a preparation method of sodium ethoxide. The preparation method comprises the following steps: adding metallic sodium and inhibitors to a reaction kettle at 0-30 DEG C, dropwise adding all absolute ethyl alcohol within 2-4 hours under the vacuum condition of minus 0.01-minus 0.05MPa and continuously reacting at 0-30 DEG C for 2-4 hours, thus obtaining sodium ethoxide with content more than 20% and yield more than 94%. The preparation method has the beneficial effects that the technological process is simple; little equipment, such as the reaction kettle and a condenser, are only used, so that the investment is low; reaction is carried out at a low temperature of 0-30 DEG C, thus reducing the consumption of condensate water and the energy consumption and saving the cost; meanwhile, the product has few impurities and good color and is a colorless and transparent viscous liquid; after the inhibitors are added, the storage time can be greatly lengthened under the low temperature and photophobic conditions and is more than six months; the yield is more than 94%; the content is more than 20%; no three wastes and other wastes are produced in the whole production technology, so that the production technology is clean and environmentally friendly.
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Paragraph 0018; 0019
(2016/10/07)
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- BTK INHIBITORS
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Provided are imidazo[1,5-a]pyrazine derivatives according to Formula I, or pharmaceutically acceptable salts thereof, pharmaceutical compositions comprising these compounds and their use in therapy. In particular, provided is the use of imidazo[1,5-a]pyra
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Page/Page column 50
(2016/07/27)
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- Preparation method for low residual granular sodium alkoxide or potassium alcoholate
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The invention provides a preparation method for low residual granular sodium alkoxide or potassium alcoholate. The method includes using sodium or potassium and alcohol as raw materials, mixing the mixture with a solvent, reacting in inert gas atmosphere by using a microwave heating method, and removing the residual alcohol and solvent in the presence of microwave after the reaction to get the granular sodium alkoxide or potassium alcoholate. The microwave frequency is 2450 +/- 50 MHz. The method can prepare sodium alkoxide or potassium alcoholate with low residual solvent, and the prepared sodium alkoxide or potassium alcoholate is large granular solid, so that the development from powdered product to granular product can be realized, and the problems of residual solvent and potential risk troubled human for a long time can be overcome.
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Paragraph 0027-0028
(2017/01/17)
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- Synthesis method of 2-amino-4, 6-dihydroxypyrimidine
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The invention relates to a synthesis method of 2-amino-4, 6-dihydroxypyrimidine. Guanidine nitrate and diethyl malonate are employed as the raw materials for one-step cyclization reaction. The steps include: employing a new-made sodium ethoxide solution, diethyl malonate and self-made guanidine nitrate to carry out stirring reflux reaction for 0.5-1.5h, distilling off ethanol, then dissolving the obtained white solid in water, then using a 4-6% acetic acid solution to conduct acidification to a pH value of 4-6, and carrying out filtering, washing and drying, thus obtaining a white solid 2-amino-4, 6-dihydroxypyrimidine. The method provided by the invention has the advantages of simple reaction steps, low reaction temperature, safety and environmental protection, is suitable for industrial production, and has wide application prospect.
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Paragraph 0012; 0013; 0014
(2017/03/21)
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- CATALYSTS
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A catalyst comprising (i) an asymmetric complex of formula (I) wherein M is zirconium or hafnium; each X is a sigma ligand; L is a divalent bridge selected from —R′2C—, —R′2C—CR′2—, —R′2Si—, —R′2Si—SiR′2—, —R′2Ge—, wherein each R′ is independently a hydrogen atom, C1-C20-alkyl, tri(C1-C20-alkyl)silyl, C6-C20-aryl, C7-C20-arylalkyl or C7-C20-alkylaryl; R2 and R2′ are each independently linear C1-10 hydrocarbyl; R5 and R5′ are each independently hydrogen or a C1-20 hydrocarbyl group; R6 and R6′ are each independently hydrogen or a C1-20 hydrocarbyl group; R7 is hydrogen or a C1-20 hydrocarbyl group or is ZR3; Z is O or S, preferably O; R3 is a C1-10 hydrocarbyl group; Ar is an aryl or heteroaryl group having up to 20 carbon atoms optionally substituted by one or more groups R8; Ar′ is an aryl or heteroaryl group having up to 20 carbon atoms optionally substituted by one or more groups R8′; and R8 and R8′ are each independently is a C1-20 hydrocarbyl group; with the proviso that at least one of R6 or R7 is not H; and (ii) a cocatalyst comprising a compound of a group 13 metal, e.g. boron.
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- Bridged metallocene catalysts
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A solid, particulate catalyst comprising: (i) a complex of formula (I) wherein M is zirconium or hafnium; each X is a sigma ligand; L is a divalent bridge selected from —R′2C—, —R′2C—CR′2—, —R′2Si—, —R′2Si—SiR′2—, —R′2Ge—, wherein each R′ is independently a hydrogen atom, C1-C20-hydrocarbyl, tri(C1-C20-alkyl)silyl, C6-C20-aryl, C7-C20-arylalkyl or C7-C20-alkylaryl; each R1 is a C4-C20 hydrocarbyl radical branched at the β-atom to the cyclopentadienyl ring, optionally containing one or more heteroatoms belonging to groups 14-16, or is a C3-C20 hydrocarbyl radical branched at the β-atom to the cyclopentadienyl ring where the β-atom is an Si-atom; each R18 is a C1-C20 hydrocarbyl radical optionally containing one or more heteroatoms belonging to groups 14-16; each R4 is a hydrogen atom or a C1-6-hydrocarbyl radical; each W is a 5 or 6 membered aryl or heteroaryl ring wherein each atom of said ring is optionally substituted with at least one R5 group; each R5 is the same or different and is a C1-C20 hydrocarbyl radical optionally containing one or more heteroatoms belonging to groups 14-16; and optionally two adjacent R5 groups taken together can form a further mono or multicyclic ring condensed to W optionally substituted by one or two groups R5; and each R7 is a C1-C20 hydrocarbyl radical; and (ii) a cocatalyst, preferably comprising an organometallic compound of a Group 13 metal.
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(2015/07/22)
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- Tricyclic fused pyrazoles with a 'Click' 1,2,3-triazole substituent in position 3 are nanomolar CB1 receptor ligands
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Structural modification of the potent conformationally constrained tricyclic pyrazole CB1 ligand NESS0327 was achieved by replacing: (1) the chlorine substituent on the tricycle with a 3-fluoropropyl chain, and (2) the pyrazole 3-{[(piperidino)
- Zanato, Chiara,Cascio, Maria Grazia,Lazzari, Paolo,Pertwee, Roger,Testa, Andrea,Zanda, Matteo
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p. 817 - 826
(2015/03/14)
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- Isotope Effects in the Solvolysis of Sterically Hindered Arenesulfonyl Chlorides
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Solvent isotope effects in the ethanolysis of sterically hindered arenesulfonyl chlorides ruled out a proton transfer in the rate-determining step and agreed with a SN2 mechanism involving at least a second solvent molecule in the transition state (TS). The lack of a secondary kinetic isotope effect in the o-alkyl groups allows us to disregard the possible contribution of σ-π hyperconjugation. The measured activation parameters are consistent with a SN2 mechanism involving the participation of solvent molecules in the TS, possibly forming a cyclic TS through a chain of solvent molecules.
- Iazykov, Mykyta,Canle L., Moisés,Santaballa, J. Arturo,Rublova, Ludmila
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p. 744 - 750
(2015/10/06)
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- FUNCTIONAL METALLOSILOXANES, PRODUCTS OF THEIR PARTIAL HYDROLYSIS AND THEIR USE
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?The invention relates to the field of chemical technology of organic silicon compounds, in particular, to functional metallosiloxanes, products of their partial hydrolysis, the method of their preparation, and to their use as crosslinking agents in compositions based on rubber. Disclosed are functional metallosiloxanes of the general formula (I): wherein M is a two-, three-or four-valent metal; p+m correspond to the valence of the metal, provided that p and m ≠ 0; n is 0 or 1; R represents C1-C4 alkyl; R' and R" are independently the same or different and represent C1 -C4 alkyl, C6H5-, CH2=CH- and NH2(CH2)x, where x has a value from 2 to 5; and Alk is a C1-C4 alkyl substituent. Also disclosed is the method for preparing functional metallosiloxanes, products of their partial hydrolysis and the method of their preparation, and their use as crosslinkers in curable compositions based on rubber, preferably silicone rubber.
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Page/Page column 14; 15
(2015/11/17)
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- Catalyst
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A catalyst comprising (i) an asymmetric complex of formula (I) wherein M is zirconium or hafnium; each X is a sigma ligand; L is a divalent bridge selected from -R'2C-, -R'2C-CR'2-, -R'2Si-, -R'2Si-SiR'2-, -R'2Ge-, wherein each R' is independently a hydrogen atom, C1-C20-alkyl, tri(C1-C20-alkyl)silyl, C6-C20-aryl, C7-C20-arylalkyl or C7-C20-alkylaryl; R2 and R2' are each independently linear C1-10 hydrocarbyl; R5 and R5' are each independently hydrogen or a C 1-20 hydrocarbyl group; R6 and R6' are each independently hydrogen or a C1-20 hydrocarbyl group; R7 is hydrogen or a C1-20 hydrocarbyl group or is ZR3; Z is O or S, preferably O; R3 is a C1-10 hydrocarbyl group; Ar is an aryl or heteroaryl group having up to 20 carbon atoms optionally substituted by one or more groups R8; Ar' is an aryl or heteroaryl group having up to 20 carbon atoms optionally substituted by one or more groups R8'; R8 and R8' are each independently is a C1-20 hydrocarbyl group; with the proviso that at least one of R6 or R7 is not H; and (ii) a cocatalyst comprising a compound of a group 13 metal, e.g. boron.
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(2014/07/08)
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- OXABICYCLO [2.2.2] ACID GPR120 MODULATORS
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The present invention provides compounds of Formula (I): or a stereoisomer, or a pharmaceutically acceptable salt thereof, wherein all of the variables are as defined herein. These compounds are GPR120 G protein-coupled receptor modulators which may be used as medicaments.
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Paragraph 0301
(2014/09/30)
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- Synthesis and photochromic properties of fulgides and fulgimides, 5-alkoxybenzo[b]furan derivatives
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New heterocyclic fulgides, 3-[1-(5-alkoxy-2-methylbenzo[b]furan-3-yl)ethylidene]-4-(2-propylidene)dihydro-2,5-furandiones, and fulgimides, 1-(2-dimethylaminoethyl)-3-[(5-methoxy-2-methylbenzo[b]furan-3-yl)ethylidene]-4-(2-propylidene)dihydro-2,5-pyrroledi
- Rybalkin,Makarova,Pluzhnikova,Popova,Metelitsa,Bren',Minkina
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p. 1780 - 1784
(2015/05/20)
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- IONIC LIQUIDS, ELECTROLYTE SOLUTIONS INCLUDING THE IONIC LIQUIDS, AND ENERGY STORAGE DEVICES INCLUDING THE IONIC LIQUIDS
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An ionic liquid including a phosphazene compound that has a plurality of phosphorus-nitrogen units and at least one pendant group bonded to each phosphorus atom of the plurality of phosphorus-nitrogen units. One pendant group of the at least one pendant group comprises a positively charged pendant group. Additional embodiments of ionic liquids are disclosed, as are electrolyte solutions and energy storage devices including the embodiments of the ionic liquid.
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(2013/04/13)
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- Highly selective binding of nitric oxide by CoIII and Fe III complexes
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In order to construct compounds with highly selective binding activity for NO, two CoIII and two FeIII complexes with square-planar N2O2-type donor sets, N-[2-(2-hydroxybenzylamino)ethyl]-2- hydroxybenzamide (H3L1) and 1,2-bis(2-hydroxybenzoylamino)ethane (H4L2), [CoIII(L1)] (1), Na[CoIII(L2)] (2), [FeIII(L1)] (3), and (PPh4)[FeIII(L2)] (4), were designed and synthesized. These compounds were characterized by electronic absorption, FT-IR, 1H-NMR spectroscopies, ESI-mass spectrometry, and elemental analyses. The redox potentials of the CoIII and Fe III complexes with L1, 1 and 3, have quasi-reversible waves at -0.51 and -0.49 V, respectively, and those with L2, 2 and 4, afforded reversible and irreversible waves at -0.96 and -1.04 V, respectively. Interestingly, all complexes quickly react with NO under an Ar atmosphere to form nitrosyl complexes, as monitored by UV-vis spectroscopy. The formation of nitrosyl complexes was confirmed by the appearance of the N-O stretching vibration at about 1650 cm-1; 1649 for 1, 1651 for 2, 1648 for 3, and 1650 cm -1 for 4. The reactivity of each of these complexes with other small molecules such as NO2-, NO3-, CO, and O2 was also studied. None of the complexes react with CO and O2. CoIII complexes 1 and 2 react with NO2 -, while FeIII complexes, 3 and 4, do not react with small amounts of NO2-. Complex 3 reacts with NO 2- at concentrations above 100 equiv. of NO 2-. We succeeded in preparing complexes with highly selective reactivity for NO. The Royal Society of Chemistry 2013.
- Zhang, Zizheng,Suwabe, Tatsuya,Ishikawa, Mai,Funahashi, Yasuhiro,Inomata, Tomohiko,Ozawa, Tomohiro,Masuda, Hideki
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p. 4470 - 4478
(2013/04/24)
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- Novel inhibitors of bacterial virulence: Development of 5,6-dihydrobenzo[h]quinazolin-4(3H)-ones for the inhibition of group A streptococcal streptokinase expression
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Resistance to antibiotics is an increasingly dire threat to human health that warrants the development of new modes of treating infection. We recently identified 1 (CCG-2979) as an inhibitor of the expression of streptokinase, a critical virulence factor in Group A Streptococcus that endows blood-borne bacteria with fibrinolytic capabilities. In this report, we describe the synthesis and biological evaluation of a series of novel 5,6-dihydrobenzo[h] quinazolin-4(3H)-one analogs of 1 undertaken with the goal of improving the modest potency of the lead. In addition to achieving an over 35-fold increase in potency, we identified structural modifications that improve the solubility and metabolic stability of the scaffold. The efficacy of two new compounds 12c (CCG-203592) and 12k (CCG-205363) against biofilm formation in Staphylococcus aureus represents a promising additional mode of action for this novel class of compounds.
- Yestrepsky, Bryan D.,Xu, Yuanxi,Breen, Meghan E.,Li, Xiaoqin,Rajeswaran, Walajapet G.,Ryu, Jenny G.,Sorenson, Roderick J.,Tsume, Yasuhiro,Wilson, Michael W.,Zhang, Wenpeng,Sun, Duxin,Sun, Hongmin,Larsen, Scott D.
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p. 1880 - 1897
(2013/05/08)
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- High-Yield synthesis of the novel E,E-2, 5-dimethoxy-1,4-bis[2-(4- ethylcarboxylatestyril)] benzene by the heck reaction
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The novel E,E-2,5-dimethoxy-1,4-bis[2-(4-ethylcarboxylatestyril)]benzene, 4, was obtained in good yield (92%), by the Heck cross-coupling reaction using Pd(dba)2 and P(OPh)3 like catalytic system. The high trans specificity of the product produced by the Heck reaction was confirmed by Fourier Transform-infrared and NMR. The methodology reported can be used as synthetic route for precursors to phenylenevinylene target systems with highly desired functional groups in their molecular structure, such as carboxylic, to build metal-organic frameworks and other applications within the supramolecular chemistry. Copyright
- Alzate, Diego,Hinestroza, Juan P.,Sierra, Cesar A.
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supporting information
p. 2280 - 2285
(2013/07/26)
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- Mono-Indenyl Transition Metal Compounds and Polymerization Therewith
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This invention relates to transition metal compounds, catalyst systems comprising said compounds and polymerization processes using such catalyst systems, where the transition metal compound is represented by the formula: This invention also relates to process to produce such compounds.
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- DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE
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The subject of the invention is a group of new derivatives of aminoalkaπols, more specifically [(phenoxy)alkyl]aminoalkanols and [(phenoxy)acyl)aminoalkanols, their method of obtaining and their use for production of a medicine which is used in the prophylaxis, prevention and/or treatment of diseases or symptoms having neurological background and for production of a medicine with anticonvulsant activity, which is used in seizures of various origin, also in the limbic system, in myoclonic or sound-induced seizures, in psychomotor epilepsy, as well as in relieving neuropathic or inflammatory pain.
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Page/Page column 6-7
(2011/02/25)
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- N-(IMIDAZOPYRIMIDIN-7-YL)-HETEROARYLAMIDE DERIVATIVES AND THEIR USE AS PDE10A INHIBITORS
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The invention is concerned with novel imidazopyrimidine derivatives of formula (I) wherein R1, R2 and R8 are as defined in the description and in the claims, as well as physiologically acceptable salts and esters thereof. These compounds inhibit PDEIOA and used as medicaments.
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Page/Page column 86
(2011/10/13)
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- OXAZOLOPYRIMIDINES AS EDG-1 RECEPTOR AGONISTS
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The present invention relates to oxazolopyrimidine compounds of the formula I in which A, R1, R2 and R3 are defined as indicated in the claims. The compounds of the formula I modulate the activity of the Edg-1 receptor and
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Page/Page column 142
(2010/04/03)
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- Design, synthesis, biological evaluation and computational investigation of novel inhibitors of dihydrofolate reductase of opportunistic pathogens
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The present work deals with design, synthesis and biological evaluation of novel, diverse compounds as potential inhibitors of dihydrofolate reductase (DHFR) from opportunistic microorganisms; Pneumocystis carinii (pc), Toxoplasma gondii (tg) and Mycobacterium avium (ma). A set of 14 structurally diverse compounds were designed with varying key pharmacophoric features of DHFR inhibitors, bulky distal substitutions and different bridges joining the distal part and 2,4-diaminopyrimidine nucleus. The designed compounds were synthesized and evaluated in enzyme assay against pc, tg and ma DHFR. The rat liver (rl) DHFR was used as mammalian standard. As the next logical step of the project, flexible molecular docking studies were carried out to predict the binding modes of these compounds in pcDHFR active site and the obtained docked poses were post processed using MM-GBSA protocol for prediction of relative binding affinity. The predicted binding modes were able to rationalize the experimental results in most cases. Of particular interest, both the docking scores and MM-GBSA predicted ΔGbind were able to distinguish between the active and low active compounds. Furthermore, good correlation coefficient of 0.797 was obtained between the IC50 values and MM-GBSA predicted ΔGbind. Taken together, the current work provides not only a novel scaffold for further optimization of DHFR inhibitors but also an understanding of the specific interactions of inhibitors with DHFR and structural modifications that improve selectivity.
- Bag, Seema,Tawari, Nilesh R.,Degani, Mariam S.,Queener, Sherry F.
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experimental part
p. 3187 - 3197
(2010/07/08)
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- Solubility of sodium sulfide in alcohols
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The solubility of sodium sulfide in methanol, ethanol, 2-propanol, 2-methyl-1-propanol, and benzyl alcohol and the acid-base interaction of these compounds have been determined at (20 and 35) °C. The reactions result in the formation of sodium alkoxide and hydrosulfide. The reported values on the solubility of sodium sulfide in alcohols differ essentially from the data described in the literature.
- Kurzin, Alexander V.,Evdokimov, Andrey N.,Golikova, Valerija S.,Pavlova, Olesja S.
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experimental part
p. 4080 - 4081
(2011/05/28)
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- Leukotriene B4 Inhibitors
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Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of diseases such as, for example, COPD
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Page/Page column 17
(2009/04/24)
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- 4- [HETEROCYCLYL-METHYL] -8-FLUORO-QUINOLIN-2-ONES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS
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Novel compounds of formulae (II, III) and pharmaceutical compositions have been found to inhibit inducible NOS synthase wherein: R4, R5, R6 and R7 are independently selected from the group consisting of hydrogen, lower alkyl, and halogen; and, R8 has the structure whrein X1, X2, X3, X4, X5, X6, R9, R13, R14 and n are as described herein.
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Page/Page column 60
(2009/04/25)
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- AZAINDOLES AS INHIBITORS OF SOLUBLE ADENYLATE CYCLASE
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The present invention relates to azaindoles of general Formula (I), a method for the production thereof, and to the us e thereof for the production of pharmaceutical compositions.
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Page/Page column 59; 65
(2009/04/25)
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- Dimers of harmol or of its derivatives and uses thereof
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The present invention relates to a compound of formula (II): ????????A-X-A?????(II) wherein: - A represents in particular a radical of formula (1): wherein R1 represents in particular a methyl group, R2 represents in particular an alkyl group of 1 to 10 carbon atoms, and R3 to R7 represent preferably H, - X represents in particular an alkyl radical having 1 to 10 carbon atoms for the treatment of cancer.
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Page/Page column 13-14
(2009/05/29)
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- NOVEL FUNGICIDES
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Compounds of the general formula (I), wherein the substituents are as defined in claim 1, are useful as fungicides.
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Page/Page column 103
(2009/04/25)
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- 6-PYRIMIDINYL-PYRIMID-2-ONE DERIVATIVE
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A compound represented by the formula (I) or a pharmaceutically acceptable salt thereof: which is used for preventive and/or therapeutic treatment of a disease caused by abnormal activity of tau protein kinase 1 such as a neurodegenerative diseases (e.g.
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Page/Page column 10; 12-13
(2009/04/25)
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- COMPOUNDS USEFUL AS RAF KINASE INHIBITORS
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The present invention provides compounds useful as inhibitors of Raf protein kinase. The present invention also provides compositions thereof, and methods of treating Raf-mediated diseases.
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Page/Page column 90
(2009/03/07)
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- FUSED THIAZOLE AND THIOPHENE DERIVATIVES AS KINASE INHIBITORS
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A series of fused bicyclic thiazole and thiophene derivatives which are substituted in the 2-position by an optionally substituted morpholin-4-yl moiety, and in the 4-position by hydroxy, oxo or an amine moiety, being selective inhibitors of PI3 kinase enzymes, are accordingly of benefit in medicine, for example in the treatment of inflammatory, autoimmune, cardiovascular, neurodegenerative, metabolic, oncological, nociceptive or ophthalmic conditions. (I)
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Page/Page column 94-95
(2009/07/17)
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- PROCESSES FOR PREPARING HIV REVERSE TRANSCRIPTASE INHIBITORS
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Compounds of Formula (I): can be prepared by a multi-step process from compounds of Formula (II): wherein G is Cl, Br or I.
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Page/Page column 14; 18
(2009/07/10)
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- LEUKOTRIENE B4 INHIBITORS
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Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of diseases such as, for example, COPD
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Page/Page column 15
(2009/09/25)
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- PYRIDAZINONE GLUCOKINASE ACTIVATORS
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Provided herein are compounds of the formula (I): as well as pharmaceutically acceptable salts thereof, wherein the substituents are as those disclosed in the specification. These compounds, and the pharmaceutical compositions containing them, are useful for the treatment of metabolic diseases and disorders such as, for example, type II diabetes mellitus.
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Page/Page column 46
(2009/10/30)
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- Pyridoimidazolones as novel potent inhibitors of v-Raf murine sarcoma viral oncogene homologue B1 (BRAF)
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BRAF is a serine/threonine kinase that is mutated in a range of cancers, including 50-70% of melanomas, and has been validated as a therapeutic target. We have designed and synthesized mutant BRAF inhibitors containing pyridoimidazolone as a new hinge-binding scaffold. Compounds have been obtained which have low nanomolar potency for mutant BRAF (12 nM for compound 5i) and low micromolar cellular potency against a mutant BRAF melanoma cell line, WM266.4. The series benefits from very low metabolism, and pharmacokinetics (PK) that can be modulated by methylation of the NH groups of the imidazolone, resulting in compounds with fewer H-donors and a better PK profile. These compounds have great potential in the treatment of mutant BRAF melanomas.
- Niculescu-Duvaz, Dan,Gaulon, Catherine,Dijkstra, Harmen P.,Niculescu-Duvaz, Ion,Zambon, Alfonso,Menard, Delphine,Suijkerbuijk, Bart M. J. M.,Nourry, Arnaud,Davies, Lawrence,Manne, Helen,Friedlos, Frank,Ogilvie, Lesley,Hedley, Douglas,Whittaker, Steven,Kirk, Ruth,Gill, Adrian,Taylor, Richard D.,Raynaud, Florence I.,Moreno-Farre, Javier,Marais, Richard,Springer, Caroline J.
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supporting information; experimental part
p. 2255 - 2264
(2010/01/15)
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