Cargando…

Synthesis, X-ray crystal structure, Hirshfeld surface analysis, and molecular docking study of novel inhibitor of hepatitis B: methyl 4-fluoro-3-(morpholinosulfonyl)benzo[b]thiophene-2-carboxylate

A method of 4-fluoro-3-(morpholinosulfonyl)benzo[b]thiophene-2-carboxylate synthesis has been developed and the electronic and spatial structure of a new biologically active molecule has been studied both theoretically and experimentally. The title compound was crystallized from acetonitrile and the...

Descripción completa

Detalles Bibliográficos
Autores principales:	Ivachtchenko, Alexandre V., Mitkin, Oleg D., Kravchenko, Dmitry V., Kovalenko, Sergiy M., Shishkina, Svitlana V., Bunyatyan, Natalya D., Konovalova, Irina S., Dmitrieva, Irina G., Ivanov, Vladimir V., Langer, Thierry
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier 2019
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6895763/ https://www.ncbi.nlm.nih.gov/pubmed/31844693 http://dx.doi.org/10.1016/j.heliyon.2019.e02738

Ejemplares similares

Methylation of Methyl 4-Hydroxy-2-thioxo-1,2-dihydroquinoline-3-carboxylate: Synthetic, Crystallographic, and Molecular Docking Studies
por: Kovalenko, Sergiy M., et al.
Publicado: (2020)

Crystal structure, Hirshfeld analysis and a molecular docking study of a new inhibitor of the Hepatitis B virus (HBV): ethyl 5-methyl-1,1-dioxo-2-{[5-(pentan-3-yl)-1,2,4-oxadiazol-3-yl]methyl}-2H-1,2,6-thiadiazine-4-carboxylate
por: Ivachtchenko, Alexandre V., et al.
Publicado: (2020)

Usage of Quantum Chemical Methods to Understand the Formation of Concomitant Polymorphs of Acetyl 2-(N-(2-Fluorophenyl)imino)coumarin-3-carboxamide
por: Shishkina, Svitlana V., et al.
Publicado: (2021)

Crystal structures and Hirshfeld analysis of 4,6-dibromoindolenine and its quaternized salt
por: Konovalova, Irina S., et al.
Publicado: (2021)

(1R,3S)-3-(1H-Benzo[d]imidazol-2-yl)-1,2,2-trimethylcyclopentane-1-carboxylic acid as a new anti-diabetic active pharmaceutical ingredient
por: Kovalenko, Sergiy M., et al.
Publicado: (2020)

Crystal structure of (S)-1-(1,3-benzothiazol-2-yl)-2,2,2-trifluoroethanol
por: Shishkina, Svitlana V., et al.
Publicado: (2014)

A Novel Series of [1,2,4]Triazolo[4,3-a]Pyridine Sulfonamides as Potential Antimalarial Agents: In Silico Studies, Synthesis and In Vitro Evaluation
por: Karpina, Veronika R., et al.
Publicado: (2020)

6-Phenylbenzo[d]naphtho[2,3-b]thiophene
por: Silambarasan, V., et al.
Publicado: (2012)

Methyl 5-chloro-4-hydroxy-2,2-dioxo-1H-2λ(6),1-benzothiazine-3-carboxylate: structure and Hirshfeld surface analysis
por: Shishkina, Svitlana V., et al.
Publicado: (2020)

Crystal structure of methyl 1-allyl-4-methyl-1H-benzo[c][1,2]thiazine-3-carboxylate 2,2-dioxide
por: Azotla-Cruz, Liliana, et al.
Publicado: (2016)

Crystal-structure determination and Hirshfeld surface analysis of two new thiophene derivatives: (E)-N-{2-[2-(benzo[b]thiophen-2-yl)ethenyl]-5-fluorophenyl}benzenesulfonamide and (E)-N-{2-[2-(benzo[b]thiophen-2-yl)ethenyl]-5-fluorophenyl}-N-(but-2-yn-1-yl)benzenesulfonamide
por: Madhan, S., et al.
Publicado: (2023)

Quantum Chemical Study on Mefenamic Acid Polymorphic Forms
por: Shishkina, Svitlana V., et al.
Publicado: (2022)

Crystal structure of the non-steroidal anti-inflammatory drug (NSAID) tolmetin sodium
por: Konovalova, Irina S., et al.
Publicado: (2021)

Copper-promoted hydration and annulation of 2-fluorophenylacetylene derivatives: from alkynes to benzo[b]furans and benzo[b]thiophenes
por: Li, Yibiao, et al.
Publicado: (2014)

Synthesis of Oxadiazoles, Thiadiazoles and Triazoles Derived from Benzo[b]thiophene.
por: Sharba, A. Hussain K., et al.
Publicado: (2005)

Crystal structure of 2-(p-tolyl)-6-(trifluoromethyl)benzo[b]thiophene-3-carbonitrile
por: Sandhya, N. C., et al.
Publicado: (2015)

One-step synthesis of benzo[b]thiophenes by aryne reaction with alkynyl sulfides
por: Matsuzawa, Tsubasa, et al.
Publicado: (2020)

Methyl 1-allyl-4-hydroxy-2,2-dioxo-1H-2λ(6),1-benzothiazine-3-carboxylate
por: Shishkina, Svitlana V., et al.
Publicado: (2013)

Room-Temperature Direct β-Arylation of Thiophenes and Benzo[b]thiophenes and Kinetic Evidence for a Heck-type Pathway
por: Colletto, Chiara, et al.
Publicado: (2016)

4-[(Benzylamino)carbonyl]-1-methylpyridinium halogenide salts: X-ray diffraction study and Hirshfeld surface analysis
por: Shishkina, Svitlana V., et al.
Publicado: (2022)

4-[(Benzylamino)carbonyl]-1-methylpyridinium bromide hemihydrate: X-ray diffraction study and Hirshfeld surface analysis
por: Rudiuk, Vitalii V., et al.
Publicado: (2022)

Crystal structure of 1-fluoro-1,3-dihydrobenzo[c]thiophene 2,2-dioxide
por: Zou, Ying, et al.
Publicado: (2015)

Novel 5‐(Benzo[b]thiophen‐3‐yl)pyridine‐3‐carbaldehyde (BTPA) Functionalization Framework For Modulating Fullerene Electronics
por: John, Suru V., et al.
Publicado: (2017)

Crystal structure, Hirshfeld surface analysis and geometry optimization of 2-hydroxyimino-N-[1-(pyrazin-2-yl)ethylidene]propanohydrazide
por: Plutenko, Maksym O., et al.
Publicado: (2022)

Preclinical Development of ONC1-13B, Novel Antiandrogen for Prostate Cancer Treatment
por: Ivachtchenko, Alexandre V., et al.
Publicado: (2014)

(R,S)-2′-Amino-6′-methyl-2,5′,5′-trioxo-6′H-spiro[indoline-3,4′-pyrano[3,2-c][2,1]benzothiazine]-3′-carbonitrile dimethylformamide monosolvate
por: Shishkina, Svitlana V., et al.
Publicado: (2014)

Synthesis and anti-tubercular activity of 3-substituted benzo[b]thiophene-1,1-dioxides
por: Chandrasekera, N. Susantha, et al.
Publicado: (2014)

Synthesis of a New Class of Spirooxindole–Benzo[b]Thiophene-Based Molecules as Acetylcholinesterase Inhibitors
por: Barakat, Assem, et al.
Publicado: (2020)

Structural characterization and Hirshfeld surface analysis of 2-iodo-4-(pentafluoro-λ(6)-sulfanyl)benzonitrile
por: González Espiet, Jean C., et al.
Publicado: (2020)

Crystal structure of 6-(p-tolyl)benzo[b]naphtho[2,3-d]thiophene and of an orthorhombic polymorph of 7-phenylanthra[2,3-b]benzo[d]thiophene
por: Gopinath, S., et al.
Publicado: (2016)

Electrochemically-promoted synthesis of benzo[b]thiophene-1,1-dioxides via strained quaternary spirocyclization
por: Li, Ruitao, et al.
Publicado: (2022)

The efficient synthesis of dibenzo[d,d′]benzo[1,2-b:4,3-b′]dithiophene and cyclopenta[1,2-b:4,3-b′]bis(benzo[d]thiophen)-6-one
por: Wang, Zhihua, et al.
Publicado: (2009)

Synthesis, analysis of molecular and crystal structures, estimation of intermolecular interactions and biological properties of 1-benzyl-6-fluoro-3-[5-(4-methylcyclohexyl)-1,2,4-oxadiazol-3-yl]-7-(piperidin-1-yl)quinolin-4-one
por: Vaksler, Yevhenii, et al.
Publicado: (2023)

2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
por: Silva, Willams L., et al.
Publicado: (2011)

Synthesis and Biological Evaluation of Benzo[b]thiophene Acylhydrazones as Antimicrobial Agents against Multidrug-Resistant Staphylococcus aureus
por: Barbier, Thibaut, et al.
Publicado: (2022)

Phytochemical and Psychotropic Research of Motherwort (Leonurus cardiaca L.) Modified Dry Extracts
por: Koshovyi, Oleh, et al.
Publicado: (2021)

Heteroligand Iron(V) Complexes Containing Porphyrazine, trans-Di[benzo]porphyrazine or Tetra[benzo]porphyrazine, Oxo and Fluoro Ligands: DFT Quantum-Chemical Study
por: Chachkov, Denis V., et al.
Publicado: (2023)

5-Methylphenanthro[2,3-b]thiophene
por: Ranjith, S., et al.
Publicado: (2011)

The synthesis, crystal structure and Hirshfeld surface analysis of the thiophene derivatives 5-(phenylsulfonyl)-5,6-dihydrobenzo[4,5]thieno[3,2-j]phenanthridine and (E)-N-{2-[2-(benzo[b]thiophen-2-yl)ethenyl]phenyl}-N-(prop-2-yn-1-yl)benzenesulfonamide
por: Madhan, S., et al.
Publicado: (2023)

Ag(I)–C–H Activation Enables Near-Room-Temperature Direct α-Arylation of Benzo[b]thiophenes
por: Colletto, Chiara, et al.
Publicado: (2018)

Cannot write session to /tmp/vufind_sessions/sess_td2vjnf3m8sk1gmfisprou1gg2