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Article
Reductive Heterocyclization of 2-Cyanobenzophenones by the Action of NaBH4. New Efficient Synthesis of 3-Arylphthalides
The reduction of 2-cyclopropylcarbonyl-, 2-(thiophen-2-yl)carbonyl-, and 2-arylcarbonylbenzonitriles with sodium tetrahydridoborate afforded 3-cyclopropyl-, 3-(2-thiophen-2-yl)-, and 3-arylphthalides, respecti...
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Article
o-Acylbenzonitriles: Synthesis and Heterocyclization under Acid Hydrolysis of the Cyano Group
2-Cyanobenzophenones were synthesized by reaction of 2-bromobenzophenones with copper(I) cyanide in DMF, and their transformations involving acid hydrolysis of the cyano group were studied. Reactions of o-benzoyl...
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Article
Synthesis, crystal and molecular structure of 3,7-ditosyl-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonane
3,7-Ditosyl-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonane has been found to adopt a chair–chair conformation in the crystalline state in contrast to 3,7-ditosyl-1,5-diphenyl-3,7-diazabicyclo[3.3.1]nonan-9-one, wh...
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Article
Synthesis and application of N-hydroxy(tetrahydrofuran-2-yl)amines
Data on synthesis, reactivity and bioactivity of N-hydroxy(tetrahydrofuran-2-yl)amines were discussed in the present review. General approaches to chiral N-glycosylhydroxylamines based on reactions of hydroxylami...
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Article
Synthesis of symmetrical α-alkyl- and α-arylalkylbenzyl and diarylmethyl ethers by HCl-catalyzed intermolecular dehydration
α-Alkyl-, α-arylalkyl-, and α-aryl-substituted benzyl alcohols were converted into the corresponding symmetrical dibenzyl ethers in the presence of a catalytic amount of 10% aqueous HCl both in methylene chlor...
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Article
Synthesis of novel non-natural spiro[2.3]hexane amino acids, the conformationally restricted analogs of γ-aminobutyric acid
3-Methylenecyclobutanecarboxylic acid and its methyl ester were used as the starting compounds for the synthesis of new spiro[2.3]hexane amino acids, the conformationally rigid analogs of γ-aminobutyric acid, ...
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Article
Novel agonists of melatonin receptors as promising hypotensive and neuroprotective agents for therapy of glaucoma
Melatonin is a pineal hormone that has a capacity to lower intraocular pressure; it exhibits neuroprotective and antioxidant properties that make it possible to use melatonin in the therapy of glaucoma. Melato...
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Article
Free radicals in photolysis of mixed phosphonium–iodonium ylides and in their reactions with acetylenes
UV irradiation of mixed phosphonium–iodonium ylide in CH2Cl2 leads to formation of free radicals with lifetimes of a few minutes detected by EPR. In mixtures of ylides with acetylenes, the structure of radicals c...
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Article
Electrostatic forces and geometry of organic molecules. Part II. Unsaturated acyclic molecules with one double bond: C=C, C=O, or C=N
In the extension of the electrostatic approach developed in the previous paper on the basis of the available experimental and ab initio calculations data, the geometric structure of acyclic organic molecules cont...
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Article
Computer-aided estimation of the hERG-mediated cardiotoxicity risk of potential drug components
The hERG potassium channel is one of the most important anti-targets determining cardiotoxicity of potential drugs. Using fragmental descriptors and artificial neural networks, the predictive models of the rel...
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Article
Molecular design of proneurogenic and neuroprotective compounds—allosteric NMDA receptor modulators
N-Methyl-D-aspartic acid (NMDA) receptor is a promising target for treatment of neurodegenerative diseases and other brain disorders as well as for designing proneurogenic compounds able to stimulate neurogene...
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Article
Quadrupole correction for halogen bonding description in virtual screening and molecular docking
Halogen bonding is electrostatic attraction between halogen atoms in an organic molecule and Lewis bases. It is important to consider halogen bonding during molecular docking and virtual screening, in particul...
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Article
Synthesis of advanced fluorescent probes — water-soluble symmetrical tricarbocyanines with phosphonate groups
A method for the synthesis of a series of water-soluble heptamethine indocyanine dyes containing a phosphonate group in the substituent bonded to the quaternary nitrogen atom of the indolenine moiety has been ...
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Article
Prediction of blood-brain barrier permeability of organic compounds
Using fragmental descriptors and artificial neural networks, a predictive model of the relationship between the structure of organic compounds and their blood-brain barrier permeability was constructed and the...
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Article
New phosphonate-substituted tricarbocyanines and their interaction with bovine serum albumin
New tricarbocyanine dyes with phosphonate groups (2, 3) were synthesized and their binding constants to bovine serum albumin (BSA) were determined. The binding constants of the synthesized tricarbocyanines and ca...
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Article
Bis(gem-dihalocyclopropanes): synthesis and heterocyclization upon treatment with nitronium triflate
A reaction of octa-1,7and deca-1,9-dienes with an excess of bromofluorocarbene proceeds predominantly with the formation of a monoadduct, whereas the bis-adduct can be prepared by repeated cyclopropanation. Th...
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Article
Spectral and kinetic parameters of photoexcited complexes of albumin and indotricarbocyanine dye with phosphonate substituents
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Article
A new reaction of alkyl perchlorates with acetonitrile. Synthesis of N-alkylacetamides
An ability of n-alkyl and 1-adamantylmethyl perchlorates to be converted to the corresponding N-alkylacetamides upon treatment with acetonitrile was demonstrated. This reaction is an example of Ritter-type reacti...
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Article
Transformations of N-(2-acylaryl)benzamides and their analogs under the Camps cyclization conditions
N-(2-Acylaryl)benzamides and analogous N-substituted furan-2-, thiophene-2-, and cyclopropane-carboxamides in the systems EtONa–EtOH, EtONa–THF, and t-BuOK–t-BuOH undergo Camps cy...
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Article
Synthesis and properties of diadamantyl-containing symmetric diureas as target-oriented inhibitors of human soluble epoxide hydrolase
A series of target-oriented competitive inhibitors of human soluble epoxide hydrolase have been synthesized. The compounds retain the inhibitory properties at concentrations down to 4 nM. Based on the results ...
