- Carcinogenic Alkylation of Nucleic Acid Bases. Structure and Conformation of O4-Ethyl-2'-deoxythymidine in the Solid State and in Solution
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O4-Ethyl-2'-deoxythymidine (e4dT) crystallizes in the monoclinic space group P21, and the cell dimensions are a = 5.079(1) Angstroem, b = 15.054(1) Angstroem, c = 8.467(1) Angstroem, β = 94.07(1) deg.X-ray intensity data were measured with a diffractometer, and the structure was solved by direct methods.Least-squares refinement, which included all hydrogen atoms; converged at R = 0.030 for 1365 observed reflections.The O-ethyl group is coplanar with the pyrimidine ring, the methylene carbon atom being syn to N3.It is shown that O4-alkylation causes significant changes in the geometry of the ring which can be attributed to an altered electronic structure.The conformation about the glycosidic bond is anti with χCN = 22.8 deg.The deoxyribose ring dopts the unusual C3' endo/C2' exo twist pucker, and the gauche(1+) rotamer of the CH2OH side chain is stabilized by an intramolecular C6-H...O5' hydrogen bond.Proton NMR data for e4dT and e4dU reveal the usual preference for the C2' endo sugar pucker and a conformer distribution for the C4'-C5' bond which is expected for 2'-deoxyribosides.Comments are made on the relevance of the structure to base mispairing of O-alkyl pyrimidines and their enzymatic repair.
- Birnbaum, George I.,Sadana, Krishan L.,Blonski, Wayne J. P.,Hruska, Frank E.
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- AZOLE DERIVATIVE, METHOD FOR PRODUCING AZOLE DERIVATIVE, AND INTERMEDIATE COMPOUND
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In order to provide a novel azole derivative, an azole derivative of the present invention is an azole derivative represented by a general formula (V'). (where R6 and R7 independently represent a hydrogen atom, a C1-C4 alkyl group, a phenyl group, or a benzyl group; X represents a halogen atom, a C1-C4 alkyl group, a haloalkyl group, an alkoxy group or a haloalkoxy group, a phenyl group, a cyano group, or a nitro group; m represents an integer of 0 to 5; and A represents a nitrogen atom or a methyne group.)
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Page/Page column
(2014/05/07)
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- Triazole antifungal agents
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New triazole antifungal agents having C6S7 or S6C7 bridges are disclosed. These triazoles provide alternatives to existing antifungals in terms of formulation, bioavailability and activity.
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Page/Page column 9-10
(2010/06/19)
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- PROCESS FOR THE PREPARATION OF ANTICANCER DRUGS
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A process for preparing Anastrozole is provided. In the process the steps of a. combining 3,5-bis (2-cyanoisopropyl)toluene, a solvent selected from the group consisting of acetonitrile, dichloromethane and chlorobenzene, a brominating reagent selected from a group consisting of N-bromosuccinimide and l,3-dibromo-5,5-dimethylhydantoin, and 2,2'- azobis(2-methylpropionitrile); b. heating; c. combining with 1,2,4-triazole, a solvent selected from a group consisting of N-methylpyrrolidine, dimethylformamide, mixtures of NMP and DMF, dimethylsulfoxide, mixtures of DMSO and toluene, acetone, ACN, and tetrahydrofuran, a base selected from a group consisting of NaOH, KOH, K2CO3, and Na2CO3, and l,3-benzendiacetonitrile-5- (bromomethyl)-α, α, ?, ?- tetramethyl, at a temperature below -20°C are performed.
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Page/Page column 16-17
(2008/06/13)
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- IMPROVED PROCESS FOR THE PREPARATION OF RIZATRIPTAN BENZOATE
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Present invention discloses an improved and commercially viable process for the preparation of rizatriptan benzoate of formula (I). According to the present process the hydrazone intermediate derived from the phenylhydrazine of formula- (III) and 4- dimethylaminobutyraldehyde diethyl acetal is gradually heated to 60-70 °C in aqueous sulfuric acid medium and maintained for 3-4hr to get rizatriptan with less dimeric impurity of formula (X). The resultant rizatriptan is isolated and converted into the pharmaceutically acceptable benzoate salt. Present process produces less percentage of dimeric (less than 3 %) or polymeric impurities compared to the prior art process and more yield of rizatriptan. Rizatriptan benzoate produced according to the present process has more than 99.5 % purity with less than 0.1% dimeric impurity of formula (X) by HPLC. Rizatriptan benzoate is useful for the treatment of migraine.
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- IMPROVED PROCESS FOR THE PREPARATION OF HIGH PURITY ANASTROZOLE
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Present invention discloses an improved process for the preparation of high purity anastrozole of formula-I (2,2'-[5-(1H-1,2,4-triazol-1-ylmethyl)-1,3-phenylene]di(2-methylpropio-nitrile) consisting of: (i) halogenation of 5, α, α, α', α'-pentamethyl-1,3-benzenediacetonitrile; (ii) reaction with sodium/potassium triazole; (iii) purification of crude anastrozole (containing more than 1% of triazole isomeric impurity) through salt formation; and (iv) isolation of pure anastrozole from its salts. It is observed that the removal of triazole isomeric impurity is possible only through a salt formation.
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Page/Page column 8; 9-10
(2008/06/13)
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- Isocyanates containing uretdione groups
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The invention relates to novel compounds containing uretdione groups, to a process for preparing them by dimerizing aliphatic and/or cycloaliphatic isocyanates containing exclusively secondary and/or tertiary isocyanate groups and also to the use of uretdione polyisocyanates obtainable by this process from diisocyanates containing exclusively secondary and/or tertiary isocyanate groups as a starting component for polyurethane polymers, in particular as an isocyanate component in the preparation of uretdione powder coating crosslinkers.
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- Method of dimerizing isophorone diisocyanate
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The invention relates to a method of preparing a polyisocyanate with at least one uretdione group by oligomerizing part of the isocyanate groups of isophorone diisocyanate in the presence of a catalyst which accelerates the dimerization of isocyanate groups, wherein the oligomerization catalyst comprises a saline compound comprising from 10 to 100 wt. % of 1,2,3- and/or 1,2,4-triazolate structures (calculated as C2N3; molecular weight=66) in the anion, and the products prepared by this method.
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- Production methods of epoxytriazole derivative and intermediate therefor
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An epoxytriazole derivative (V) useful as an intermediate for anti-fungal agents and an intermediate therefor having high quality can be produced economically and efficiently by the following industrial means. A compound of the following formula (I) is reacted with trimethyloxosulfonium salt and the like in the presence of a base to give compound (II), this compound is converted to compound (IV), and this compound is reacted with 1,2,4-triazole in the presence of a base. wherein Ar is a phenyl group optionally substituted by 1 to 3 halogen atom(s) or trifluoromethyl group, R is a hydrogen atom or lower alkyl group, and X is a leaving group.
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- Synthesis of Fungicidal (1H-1,2,4-Triazol-1-yl-methyl)silanes and -siloxanes
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The synthesis of FlusilazoleTM (1a) was substantially improved by thorough exclusion of oxygen nucleophiles in the reaction of (chloromethyl)bis(4-fluorophenyl)methylsilane with sodium 1H-1,2,4-triazolide.New α,α-diaryl-α-(1H-1,2,4-triazol-1-yl-methyl)siloxanes 3 were obtained firstly from diaryl(1H-1,2,4-triazol-1-yl-methyl)silanols or -silanolates, which were prepared by different methods from the corresponding silanol hydrochlorides and further treated with functional, linear oligodimethylsiloxanes or secondly from α,α-diaryl-α-(chloromethyl)siloxanes and 1-(trimethylsilyl)-1H-1,2,4-triazole.The siloxane 4 containing a triazolylmethyl group and additionally silicofunctional coupling groups could be synthesized by hydrosilylation of an α-triazolylmethyl-ω-vinylsiloxane with triethoxysilane. - Key Words: Fungicides / Silanes / Siloxanes / 1,2,4-Triazoles
- Liebner, Falk,Bankwitz, Uwe,Ruehlmann, Klaus
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p. 145 - 150
(2007/10/02)
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- Azolyl cycloalkanol derivatives and agricultural fungicides
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Novel 1-substituted -2-imidazolyl (or 1,2,3-triazolyl)cyclohexanols or cycloheptanols having anti-fungal activity against wide range of agricultural fungi with vapor effect.
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- Triazolyl-substituted propane derivatives
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Disclosed are triazolyl-substituted propane derivatives useful in the treatment of fungal diseases of humans and animals. Also disclosed are the processes for preparing the compounds, pharmaceutical compositions containing them, and the method of treating fungal diseases with said compounds.
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- Anti-microbial diazole derivatives
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Compounds of formula (I): STR1 [wherein: Q represents a =CH-- group or a nitrogen atom; R1 represents a methylene group, a group of formula (R3 being a substituted or unsubstituted phenyl group) or a group of formula (n being 1 or 2 and R4 being a substituted or unsubstituted phenyl or phenylalkyl group); and A represents a group of formula (R2 being an alkenyl group, an alkynyl group or a substituted or unsubstituted alkyl or phenyl group) or a group of formula (X being an oxygen or sulphur atom and R11 being an aryl or aralkyl group or, when X represents an oxygen atom, R11 being a hydrogen atom or a carbonyloxy or sulphonyloxy group) and acid addition salts and metal complexes thereof are valuable antimicrobial agents having low toxicity to humans and other animals and are especially valuable for the eradication of fungi.
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