- Cis/trans-isomerizations in 1,2-bis(2-thienyl)ethene derivatives: A joint experimental and computational approach
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Two substituted 1,2-bis(2-thienyl)ethenes were synthesized and their Z/E-isomerization was studied in solution. Despite their structural similarities, they behaved very differently concerning the position of the equilibrium and the rate with which it was established: 1,2-bis(3-methoxy-2- thienyl)ethene (BMTE) was found to exist completely in the E-form and the transformation from Z to E was extremely fast, while 1-cyano-1-(2-thienyl)-2- (3-methoxy-2-thienyl)ethene (CTMTE) displayed an equilibrium mixture composed of 97% Z- and 3% E-CTMTE, which was reached far slower. In an attempt to rationalize these differences ab initio calculations were performed which enabled us to correlate relative energy differences of starting and end conformations and of estimated intermediary states on the one hand with the experimentally observed isomerizational behaviour on the other. Furthermore, the data present insight into the effects of the methoxy and nitrile group on E/Z stability and conjugation length.
- Blockhuys,Hoefnagels,Peten,Van Alsenoy,Geise
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- Hydroxythiophene-bearing benzothiazole: Selective and sensitive detection of periodate and its application as security ink
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A hydroxythiophene-bearing benzothiazole (HB) in phosphate buffer solution showed strong yellow fluorescence emission, which selectively and sensitively decreased by addition of IO4 ?. The reaction between HB and IO4 ? dramatically accelerated by UV irradiation. The fluorescence emission of HB was gradually recovered upon thermal heating of the IO4 ?-adducted product, indicating IO4 ? release. Using these properties, the solution containing HB and IO4 ? has been used as a fluorescence-based security ink.
- Hong, Kyeong-Im,Choi, Woo Hyeok,Jang, Woo-Dong
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- Thiophene-based salen-type new ligands, their structural aspects and a dimeric Cu(II) complex
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A new series of thiophene-based ligands has been developed. The reactions of 2-formyl-3-(hydroxyl/methoxy)thiophene with ethylenediamine yielded the thiophene-based salen ligands 7/8. Whereas the reaction of 2-formyl-3-methoxythiophene with 1,2-diaminobenzene, under similar conditions, unexpectedly, afforded 1,2-substituted benzimidazole based ligand 9. Formation of benzimidazole derivative, without any catalyst, is proposed to be induced by nucleophilic attack of methoxy group. Structures and supramolecular assemblies of all the ligands were studied by single crystal X-ray crystallography. Existence of the different tautomeric forms of ligand 7 was observed in solid and solution phases. The reaction of ligand 7 with CuCl2 afforded a bimetallic complex (7-Cu)2. The structure of (7-Cu)2 was confirmed by single crystal X-ray crystallography. Complex (7-Cu)2 exists in dimeric form through oxygen-copper bridged out-of-plane bonding with Cu(II) in a distorted square pyramidal geometry. Cyclic voltammogram of (7-Cu)2 displayed reversible Cu(II)/Cu(I) redox couple.
- Asatkar, Ashish K.,Panda, Snigdha,Zade, Sanjio S.
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- Enhancing the photostability of arylvinylenebipyridyl compounds as fluorescent indicators for intracellular zinc(II) ions
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Arylvinylenebipyridyl (AVB) ligands are bright, zinc(II)-sensitive fluoroionophores. The applicability of AVBs as fluorescent indicators for imaging cellular zinc(II), however, is limited by low photostability, partially attributable to the photoisomeriza
- Yuan, Zhao,Younes, Ali H.,Allen, John R.,Davidson, Michael W.,Zhu, Lei
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- Combretastatin A-4 sulfur-containing heterocyclic derivatives: Synthesis, antiproliferative activities and molecular docking studies
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Combretastatin A-4 inspired heterocyclic derivatives were synthesized and evaluated for their biological activities on tubulin polymerization and cell proliferation. Among the 19 described sulfur-containing compounds, derivatives (Z)-4h and (Z)-4j exhibited interesting in cellulo tubulin polymerization inhibition and antiproliferative activities with IC50 values for six different cell lines between 8 and 27 nM. Furthermore, in silico docking studies within the colchicine/CA-4 binding site of tubulin were carried out to understand the interactions of our products with the protein target. The effects on the cell cycle of follicular lymphoma cells were also investigated at 1–10 nM concentrations showing that apoptotic processes occurred.
- Faouzi, Abdelfattah,Arnaud, Alexandre,Bancet, Alexandre,Barette, Caroline,Preto, Jordane,Do, Cong Viet,Jordheim, Lars Petter,Bousfiha, Zineb,Nguyen, Thi Thanh Binh,Verrière, Marion,Farce, Amaury,Fauvarque, Marie-Odile,Barret, Roland,Lomberget, Thierry
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- BICYCLIC CARBOXYLATES AS MODULATORS OF TRANSPORTERS AND USES THEREOF
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The present invention generally relates to the field of transporter modulators, e.g., monocarboxylate transporter inhibitors, and more particularly to new bicyclic enone carboxylate compounds, the synthesis and use of these compounds and their pharmaceutical compositions, e.g., in the treatment, modulation and/or prevention of physiological conditions associated with monocarboxylate transporter activity such as in treating cancer and other neoplastic disorders, tissue and organ transplant rejection.
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Paragraph 0017; 0145; 0152
(2021/04/02)
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- Non-sterical stabilization of one-electron-oxidized NiSalen complex by thiophene core
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Oxidation of nickel salen complexes results in highly reactive species, undergoing polymerisation within microseconds. As a result, oxidation chemistry of NiSalens is available only for sterically hindered complexes. In the present work, an unexpectedly high stability of a nickel complex with a thiophene-based salen ligand was reported and studied. Based on the electrochemical and spectroscopic studies supported by quantum chemical calculations, a rationale for the stability of oxidized nickel complexes with thiophene-based salen ligands was proposed. The introduction of the thiophene core leads to a depletion of spin density on peripheral carbon atoms of the oxidized complex, which switches off its intermolecular reactivity. Instead of this, the initial ligand-centered radical cation undergoes an intramolecular process, namely intervalence tautomerisation, which leads to a highly stable metal-centered oxidized state.
- Lukyanov, Daniil A.,Vereshchagin, Anatoliy A.,Sizov, Vladimir V.,Kalnin, Arseniy Y.,Novoselova, Julia V.,Alekseeva, Elena V.,Levin, Oleg V.
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supporting information
p. 14425 - 14431
(2021/08/23)
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- BICYCLIC ENONE CARBOXYLATES AS MODULATORS OF TRANSPORTERS AND USES THEREOF
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The invention generally relates to the field of monocarboxylate transporter inhibitors, and more particularly to new bicyclic enone carboxylate enone compounds, the synthesis and use of these compounds and their pharmaceutical compositions, e.g., in the treatment, modulation and/or prevention of physiological conditions associated with monocarboxylate transporter activity such as in treating cancer and other neoplastic disorders, tissue and organ transplant rejection.
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Paragraph 00106-00107
(2019/10/19)
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- Opioid receptor agonists and application thereof
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The invention discloses compounds and salts thereof that can be used as opioid receptor ligands, a preparation method of the compounds, compositions containing the compounds, and a use of the compounds as [mu] opioid receptor agonists; the compounds are used for treatment of [mu] opioid receptor-mediated related diseases, such as pains and pain-related disorders.
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Paragraph 0408; 0411-0415
(2019/01/24)
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- DEUTERATED COMPOUNDS FOR TREATING PAIN
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The invention provides novel chemical compounds useful for treating pain or a related disease or disorder thereof, and pharmaceutical composition and methods of preparation and use thereof.
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Paragraph 0097; 00109
(2018/02/28)
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- DEUTERATED COMPOUNDS FOR TREATING PAIN
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The invention provides novel chemical compounds useful for treating pain or a related disease or disorder thereof, and pharmaceutical composition and methods of preparation and use thereof.
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Paragraph 0050
(2017/07/06)
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- Thiophene derivatives and method of preparing the same
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The present invention relates to thiophene derivatives, and to a preparing method thereof. By measuring fluorescence quenching using the thiophene derivatives, periodate anion (IO_4^-) can be detected without a separate mark, and the applicable range of pH is wide. Specifically, the present invention has selective fluorescence at pH 3 to 7 or pH 7.4 to 12.COPYRIGHT KIPO 2017
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Paragraph 0110-0115
(2017/12/01)
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- Small molecule inhibitors of anthrax lethal factor toxin
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This manuscript describes the preparation of new small molecule inhibitors of Bacillus anthracis lethal factor. Our starting point was the symmetrical, bis-quinolinyl compound 1 (NSC 12155). Optimization of one half of this molecule led to new LF inhibitors that were desymmetrized to afford more drug-like compounds.
- Williams, John D.,Khan, Atiyya R.,Cardinale, Steven C.,Butler, Michelle M.,Bowlin, Terry L.,Peet, Norton P.
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supporting information
p. 419 - 434
(2014/01/17)
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- Synthesis and electrochemistry of new thienyl - Schiff base complexes
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The synthesis and characterization of nickel(II), copper(II), and vanadyl ([V=O]2+) complexes of two new thienyl-substituted Schiff base ligands are reported. Cyclic voltammetry of some of these complexes showed oxidation waves, but none of the complexes formed conductive polymer films upon repeated cycling. UV-vis absorption spectros-copy shows that some of the complexes exhibit enhanced conjugation, and the radical cations formed on these chromo-phores appear to be too stable to undergo oxidative coupling.
- Pietrangelo,Boden,MacLachlan,Wolf
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scheme or table
p. 314 - 320
(2009/10/23)
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- FUSED HETEROCYCLIC ISOXAZOLINE DERIVATIVES AND THEIR USE AS ANTI-DEPRESSANTS
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The invention concerns fused heterocyclic isoxazoline derivatives of Formula (I), the pharmaceutically acceptable acid or base addition salts thereof, the stereochemically isomeric forms thereof and the N-oxide form thereof, more in particular, tetrahydro
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- NOVEL THIOPHENYLGLYCOSIDE DERIVATIVES, METHODS FOR PRODUCTION THEREOF, MEDICAMENTS COMPRISING SAID COMPOUNDS AND USE THEREOF
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The invention relates to novel thiophenylglycoside derivatives of formula (I), where the groups have the given meanings, the physiologically-acceptable salts and methods for production thereof. The compounds are suitable as anti-diabetics for example.
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Page/Page column 51-52
(2010/11/30)
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- 4- AND 5-ALKYNYLOXINDOLES AND 4- AND 5-ALKENYLOXINDOLES
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4- and 5-alkynyloxindoles as well as 4- and 5-alkenyloxindoles having formula (I) and (II), wherein R, R, R, R, R, X and z have the meaning indicated in the specification, inhibit or modulate protein kinases, in particular JNK protein kinases and are useful as anti-inflammatory agents, particularly in the treatment of rheumatoid arthritis.
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Page/Page column 32
(2010/02/04)
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- Cyclic ketone derivatives and their medical applications
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The present invention relates to cyclic ketones represented by the following formula and to drugs in which an effective component is such a cyclic ketone or a pharmacologically acceptable salt thereof.The cyclic ketones of the present invention encourage the production of blood platelets, leukocytes and erythrocytes, and can be employed in the prevention or treatment of cytopaenia brought about by cancer chemotherapy, radiotherapy or drug therapy, or by immunological abnormality, anaemia and the like.
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