- ANTIVIRAL COMPOUNDS
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The invention is provides novel antiviral compounds, as well as derivatives thereof. The compounds of the invention are preferably formulated as pharmaceuticals. The invention provides the compounds for use in the prevention and treatment of infectious diseases, in particular viral diseases. In some aspects the invention is based on the antiviral activity of the provided compounds against the Chikungunya virus, and hence, their application in the treatment or prevention of any physiological manifestation of such viral infection.
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Paragraph 90-94; 143-145
(2020/11/12)
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- Efficient synthesis of pyrazine boronic esters via palladium-catalyzed Miyaura borylation
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A facile and efficient protocol for palladium-catalyzed Miyaura borylation reaction of chloropyrazines with B2pin2has been developed. A certain range of difficult-to-access pyrazine boronic esters can be easily prepared from the corresponding chloropyrazines in moderate to good yields.
- Lu, Hongtao,Wang, Shengqiang,Li, Jingya,Zou, Dapeng,Wu, Yusheng,Wu, Yangjie
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supporting information
p. 839 - 842
(2017/02/10)
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- Semiconducting Material Comprising Aza-Substituted Phosphine Oxide Matrix and Metal Salt
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The present invention relates to a semiconducting material including at least one salt or complex of a metal cation and an aza-substituted phosphine oxide compound with improved electrical properties, and to a compound suitable for this organic semiconducting material and an electronic device utilizing the improved electrical properties of the semiconducting material.
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- Syntheses, biological activities and SAR studies of novel carboxamide compounds containing piperazine and arylsulfonyl moieties
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A series of novel carboxamide compounds 19a-19j, 20a-20j and 22a-22d containing piperazine and arylsulfonyl moieties have been synthesized. The bioassay results showed that some compounds exhibited favorable herbicidal activities against dicotyledonous plants and many of them possessed excellent antifungal activities. Among 24 novel compounds, some showed superiority over the commercial fungicides Chlorothalonil, Dimethomorph, Thiophanate-methyl, Iprodione, and Zhongshengmycin at 500 mg/L concentration. Some compounds also exhibited high KARI inhibitory activity at 100 γ1/4g/mL concentration and could be used as new KARI lead inhibitors for further studies. Moreover, SAR of these new compounds were comprehensively investigated using different computational methods in which 3D-QSAR model obtained provided useful information for further structural optimization for the discovery of new fungicides. The results of this research will contribute to explore comprehensive biological activities of piperazine-containing compounds in different areas of chemistry.
- Wang, Bao-Lei,Shi, Yan-Xia,Zhang, Shu-Jun,Ma, Yi,Wang, Hong-Xue,Zhang, Li-Yuan,Wei, Wei,Liu, Xing-Hai,Li, Yong-Hong,Li, Zheng-Ming,Li, Bao-Ju
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p. 167 - 178
(2016/04/26)
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- Electron-deficient heteroarenium salts: An organocatalytic tool for activation of hydrogen peroxide in oxidations
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A series of monosubstituted pyrimidinium and pyrazinium triflates and 3,5-disubstituted pyridinium triflates were prepared and tested as simple catalysts of oxidations with hydrogen peroxide, using sulfoxidation as a model reaction. Their catalytic efficiency strongly depends on the type of substituent and is remarkable for derivatives with an electron-withdrawing group, showing reactivity comparable to that of flavinium salts which are the prominent organocatalysts for oxygenations. Because of their high stability and good accessibility, 4-(trifluoromethyl)pyrimidinium and 3,5-dinitropyridinium triflates are the catalysts of choice and were shown to catalyze oxidation of aliphatic and aromatic sulfides to sulfoxides, giving quantitative conversions, high preparative yields and excellent chemoselectivity. The high efficiency of electron-poor heteroarenium salts is rationalized by their ability to readily form adducts with nucleophiles, as documented by low pKR+ values (pKR+ red > -0.5 V). Hydrogen peroxide adducts formed in situ during catalytic oxidation act as substrate oxidizing agents. The Gibbs free energies of oxygen transfer from these heterocyclic hydroperoxides to thioanisole, obtained by calculations at the B3LYP/6-311++g(d,p) level, showed that they are much stronger oxidizing agents than alkyl hydroperoxides and in some cases are almost comparable to derivatives of flavin hydroperoxide acting as oxidizing agents in monooxygenases.
- ?turala, Ji?í,Bohá?ová, Soňa,Chudoba, Josef,Metelková, Radka,Cibulka, Radek
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p. 2676 - 2699
(2015/03/18)
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- Synthesis and Biological Activity of Novel Furan/Thiophene and Piperazine-Containing (Bis)1,2,4-triazole Mannich Bases
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Series of novel furan/thiophene and piperazine-containing 1,2,4-triazole Mannich bases and bis(1,2,4-triazole) Mannich bases have been conveniently synthesized via Mannich reaction with triazole Schiff bases, various piperazine derivatives, and formaldehyde as intermediates in good yields. Their structures were characterized by melting points, 1H NMR, 13C NMR, IR and elemental analysis. The preliminary bioassay showed that most compounds exhibited significant in vitro and in vivo fungicidal activity against several test plant fungi. Among 32 new compounds, the trifluoromethyl-containing compounds showed superior activity than the methyl-containing ones. Several compounds, such as F8, F9, F10, G5, H7, H8, I3 and I4, were comparable with some commercial fungicides against different fungi during the present study and could be further structurally optimized. Meanwhile, several compounds showed good herbicidal activity against Brassica campestris at 100 μg/mL and KARI inhibitory activity at 200 μg/mL. However, compounds exhibited poor insecticidal activity against oriental armyworm at 200 μg/mL in the preliminary studies. The research results will provide useful information for the design and discovery of new agrochemicals with novel heterocyclic structures.
- Wang, Baolei,Shi, Yanxia,Zhan, Yizhou,Zhang, Liyuan,Zhang, Yan,Wang, Lizhong,Zhang, Xiao,Li, Yonghong,Li, Zhengming,Li, Baoju
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p. 1124 - 1134
(2015/11/02)
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- Synthesis and biological activity of some novel trifluoromethyl-substituted 1,2,4-triazole and bis(1,2,4-Triazole) mannich bases containing piperazine rings
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A series of trifluoromethyl-substituted 1,2,4-triazole Mannich base 6 and bis(1,2,4-triazole) Mannich base 7 containing pyrimidinylpiperazine rings via the Mannich reaction were synthesized and characterized by infrared (IR), 1H nuclear magnetic resonance (NMR), and elemental analysis. The fungicidal tests indicated that most of compounds 6 and 7 possessed excellent fungicidal activity. Among 19 novel compounds, some showed superiority over commercial fungicides Dimethomorph, Thiophanate-methyl, Iprodione, and Zhongshengmycin. Some compounds also exhibited favorable herbicidal activity in the preliminary studies. On the basis of the comparative molecular field analysis (CoMFA), five novel compounds were subsequently synthesized, their activities were estimated fairly accurately, and compounds 6-A1 and 7-A2 displayed good fungicidal activity against Pseudoperonospora cubensis (96.9 and 84.9%) as 6h and 7c, respectively.
- Wang, Bao-Lei,Shi, Yan-Xia,Ma, Yi,Liu, Xing-Hai,Li, Yong-Hong,Song, Hai-Bin,Li, Bao-Ju,Li, Zheng-Ming
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experimental part
p. 5515 - 5522
(2011/08/03)
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- Heterocyclic pentafluorophenyl sulfonate esters as shelf stable alternatives to sulfonyl chlorides
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Heterocyclic pentafluorophenyl sulfonate esters are shelf stable alternatives to the often less stable sulfonyl chlorides. They are easily prepared from thiols and react readily with primary and secondary amines to produce sulfonamides in high yields.
- Bornholdt, Jan,Fj?re, Karianne Wilhemsen,Felding, Jakob,Kristensen, Jesper Langgaard
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body text
p. 9280 - 9284
(2010/01/16)
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- Direct conversion of thiols to sulfonyl chlorides and sulfonamides
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(Chemical Equation Presented) H2O2 in combination with SOCl2 proved to be a highly reactive reagent for the direct oxidative conversion of thiol derivatives to the corresponding sulfonyl chlorides with high purity through oxidative chlorination. Upon reaction with amines, the corresponding sulfonamides were obtained in excellent yields and in very short reaction times.
- Bahrami, Kiumars,Khodaei, Mohammad M.,Soheilizad, Mehdi
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supporting information; experimental part
p. 9287 - 9291
(2010/03/04)
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- Development of a concise scaleable synthesis of 2-chloro-5-(pyridin-2-yl) pyrimidine via a Negishi cross-coupling
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A practical and scaleable synthesis of 2-chloro-5-(pyridin-2-yl) pyrimidine, an intermediate in the synthesis of a selective PDE-V inhibitor, was developed. A Negishi cross-coupling between the in situ prepared 2-pyridylzinc chloride and 5-iodo-2-chloropyrimidine catalyzed by Pd(PPh3)4 afforded the product in one step. Development of a convenient purification did away with the necessity of chromatography, allowing the preparation of the product on kilogram scale.
- Perez-Balado, Carlos,Willemsens, Albert,Ormerod, Dominic,Aelterman, Wim,Mertens, Narda
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p. 237 - 240
(2012/12/26)
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- Convenient one-pot synthesis of sulfonamides from thiols using trichloroisocyanuric acid
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A convenient synthesis of sulfonamides from thiols is described. In situ preparation of sulfonyl chlorides from thiols is accomplished by oxidation with trichloroisocyanuric acid (TCCA), benzyltrimethylammonium chloride and water (2.5 equiv). The sulfonyl chlorides are then further allowed to react with excess amine in the same reaction vessel. Triethylamine can be optionally added as acid scavenger. Copyright Taylor & Francis Group, LLC.
- Bonk, Jason D.,Amos, David T.,Olson, Sarah J.
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p. 2039 - 2050
(2008/02/04)
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- A convenient preparation of heteroaryl sulfonamides and sulfonyl fluorides from heteroaryl thiols
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Heteroaromatic thiols may be oxidized to the sulfonyl chloride at low temperature (-25 °C) by using 3.3 equiv of aqueous sodium hypochlorite. The reaction is rapid, avoids the use of chlorine gas, and succeeds with substrates that have previously been found to afford little or none of the sulfonamide product with other procedures. The method allows the preparation of the sulfonyl fluorides, which are stable enough to be purified and stored, making them potentially useful monomers in parallel chemistry efforts.
- Wright, Stephen W.,Hallstrom, Kelly N.
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p. 1080 - 1084
(2007/10/03)
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- PIPERAZINE AND HOMOPIPERAZINE COMPOUNDS
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Compounds are provided having a piperazine or homopiperazine ring which are useful in the treatment of thrombosis.
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- Aminopyrimidine and aminopyridine anti-inflammation agents
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Aminopyrimidine and aminopyridine (I) compounds, compositions and methods useful in the treatment of inflammatory, metabolic or malignant conditions, are provided herein.
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- Adenosine A2a receptor antagonists
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This invention relates to compounds having the structural formula I or pharmaceutically acceptable salts or solvates thereof, wherein R, R2 and R3 are as defined in the specification, pharmaceutical compositions thereof, and methods of treating stroke or central nervous system diseases by administering the compound of the present invention to a patient in need of such treatment.
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- [1,2,4]-Triazole bicyclic adenosine A2a receptor antagonists
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Compounds having the structural formula I wherein: n is 0, 1, 2 or 3; A is C(R1) or N; R1 and R1a are H, (C1-C6)-alkyl, halo, CN or —CF3; X is —C(O)—, —O—, —SO0-2—, or optionally substituted methylene, imino, arylene or heteroaryldiyl; Y is —O—, —SO0-2—, or optionally substituted arylene, heteroaryldiyl, or nitrogen-containing heterocycloalkyl, or with certain provisos, a bond; R is optionally substituted-aryl or heteroaryl; and R2 is optionally substituted aryl, heteroaryl, arylalkyl or heteroarylalkyl; or R2—Y is a fused piperidinyl, substituted piperazinyl or substituted piperidinyl; their use in the treatment of Parkinson's disease, alone or in combination with other agents for treating Parkinson's disease, pharmaceutical compositions comprising them and kits comprising the components of the combinations.
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- Pyrrolidine derivatives
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The present invention relates to pyrrolidine derivatives useful as inhibitors of metalloproteases, e.g. zinc proteases, and which are effective in treating disease states associated with vasoconstriction.
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- 2-Pyrimidineamine derivatives and processes for their preparation
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Compounds of general formula (1) are described wherein: Ar is an optionally substituted aromatic group; R2 is a hydrogen or halogen atom or a group -X1-R2a where X1 is a direct bond or a linker atom or group, and R2a is an optionally substituted straight or branched chain alkyl, alkenyl or alkynyl group; R3 is an optionally substituted heterocycloalkyl group; and the salts, solvates, hydrates and N-oxides thereof. The compounds are selective protein tyrosine kinase inhibitors, particularly the kinases ZAP-70 and syk and are of use in the prophylaxis and treatment of immune or allergic diseases and diseases involving inappropriate platelet activation.
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- The synthesis of substituted pyridylpyrimidine fungicides using palladium-catalysed cross-coupling reactions
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Various substituted phenyl, pyridyl and benzyl zinc chlorides have been generated from the corresponding lithium or magnesium organometallic reagents. These have been cross-coupled with 2-(6-bromo-2- pyridyl)pyrimidines in the presence of tetrakis(triphenylphosphine)palladium(0) to produce a series of substituted pyridylpyrimidine fungicides in 32-99% yields. (C) 2000 Elsevier Science Ltd.
- Hargreaves, Stephanie L.,Pilkington, Brian L.,Russell, Sally E.,Worthington, Paul A.
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p. 1653 - 1656
(2007/10/03)
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- Pyrmidine derivatives
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A class of substituted pyrimidine derivatives are ligands for dopamine receptor subtypes within the body and are therefore useful in the treatment of disorders of the dopamine system, in particular schizophrenia STR1
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- Pyrolysis of 1-substituted pyrazoles and chloroform at 550°C: Formation of α-carboline from 1-benzylpyrazoles
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Pyrolysis of 13CH3 labelled 1-methylpyrazole 8 with chloroform at 550°C in a continuous flow reactor yields unlabelled 2-chloropyrimidine 9 and 2-cyanopyrrole 10 labelled at the cyano group. However, pyrolysis of 1-benzylpyrazole 14 with chloroform under similar conditions gives 9,2-phenylpyrimidine 13 and, as the major product, α-carboline 15. Pyrolysis of several substituted 1-(arylmethyl)pyrazoles and the use of 13C and 15N labelled compounds provides direct evidence by which the positions of 7 atoms of 1-benzylpyrazole can be located in the α-carboline. These data support the mechanisms suggested for the formation of 9, 10, and 15.
- Bhatti, Inayat A.,Busby, Reginald E.,Bin Mohamed, Murtedza,Parrick, John,Shaw, C. J. Granville
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p. 3581 - 3585
(2007/10/03)
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- Trialkylalanes in palladium-catalyzed C-alkylations of azines
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Carbo-substitution with alkyl groups in halogenoazines is readily effected under the influence of Pd-catalysis with alanes as the donor of the alkyl group. Acta Chemica Scandinavica 1997.
- Lu, Qingbo,Mangalagiu, Lonel,Benneche, Tore,Undheim, Kjell
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p. 302 - 306
(2007/10/03)
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- Heteroaryloxy-beta-carboline derivatives, their preparation and their use as medicinal agents
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Heteroaryloxy-β-carboline derivatives of general Formula I STR1 wherein R1 is an optionally substituted heteroaryl residue, R2 is hydrogen, lower alkyl or lower alkoxyalkyl, X is a COOR3 -group wherein R3 means H or lower alkyl, or represents a CONR4 R5 -group wherein R4 and R5 mean respectively hydrogen or lower alkyl, R4 and R5 being capable of forming, together with the nitrogen atom, a 5- to 6-membered heterocycle, or means an oxadiazolyl residue of the formula STR2 wherein R6 means hydrogen, lower alkyl or cycloalkyl, are valuable pharmaceuticals.
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