- Isolation of Hypervalent Group-16 Radicals and Their Application in Organic-Radical Batteries
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Using a newly prepared tridentate ligand, we isolated hypervalent sulfur and selenium radicals for the first time and characterized their structures. X-ray crystallography, electron spin resonance spectroscopy, and density functional theory calculations r
- Imada, Yasuyuki,Nakano, Hideyuki,Furukawa, Ko,Kishi, Ryohei,Nakano, Masayoshi,Maruyama, Hitoshi,Nakamoto, Masaaki,Sekiguchi, Akira,Ogawa, Masahiro,Ohta, Toshiaki,Yamamoto, Yohsuke
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Read Online
- Fully bridged triphenylamine derivatives as color-tunable thermally activated delayed fluorescence emitters
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Three emissive bridged-triphenylamine derivatives are designed and synthesized by incorporating carbon (DQAO), oxygen (OQAO), and sulfur (SQAO) atoms with two carbonyl groups. The fully bridged geometry and unique frontier molecular orbital distribution r
- Zou, Sheng-Nan,Peng, Chen-Chen,Yang, Sheng-Yi,Qu, Yang-Kun,Yu, You-Jun,Chen, Xing,Jiang, Zuo-Quan,Liao, Liang-Sheng
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supporting information
p. 958 - 962
(2021/02/01)
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- A NEW TYPE OF ANTITUMOR COMPOUNDS: DERIVATIVES OF 7-PROPANAMIDE SUBSTITUTED BENZOXABOROLE
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The present disclosure relates to derivatives of 7-propanamide substituted benzoxaborole and their preparation and use. The structural general formula of the derivatives is (formula).The derivatives are used for the preparation of a medicament for the pre
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Page/Page column 3
(2020/10/09)
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- CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MODULATING AGENTS
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Compound (I), deuterated derivatives, and pharmaceutically acceptable salts of any of the foregoing are disclosed. Methods of treating cystic fibrosis using these compounds are also disclosed.
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Paragraph 00211
(2020/10/20)
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- A Molecular Torsion Balance Study: A Nearby Anionic Group Exerts Little Influence on Hydrophobic Interactions between Nonpolar Surfaces
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Polar groups have a solvent ordering effect on water and therefore may affect hydrophobic binding energies for nearby lipophilic surfaces. This would mean that determinations of excess surface free energy association energies require consideration of nearby polar functional groups. This paper reports results of a study to measure this possible effect. It was concluded from the models used here that an anionic polar group nearby a hydrophobic surface has little or no effect on the magnitude of hydrophobic association.
- Ling, Xiujun,Wilcox, Craig S.
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supporting information
p. 14010 - 14014
(2019/11/14)
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- Design, synthesis, and structure-activity relationship of 7-propanamide benzoxaboroles as potent anticancer agents
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Benzoxaboroles, as a novel class of bioactive molecules with unique physicochemical properties, have been shown to possess excellent antimicrobial activities with tavaborole approved in 2014 as an antifungal drug. Although urgently needed, the investigation of benzoxaboroles as anticancer agents has been lacking so far. In this study, we report the design, synthesis, and anticancer structure-activity relationship of a series of 7-propanamide benzoxaboroles. Compounds 103 and 115 showed potent activity against ovarian cancer cells with IC50 values of 33 and 21 nM, respectively. Apoptosis was induced by these compounds and colony formation was effectively inhibited. Furthermore, they also showed excellent efficacy in ovarian tumor xenograft mouse model.
- Zhang, Jiong,Zhang, Jinyi,Hao, Guiyun,Xin, Weixiang,Yang, Fei,Zhu, Mingyan,Zhou, Huchen
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p. 6765 - 6784
(2019/08/20)
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- DERIVATIVES OF 7-FATTY ACID SUBSTITUTED BENZOXABOROLE AND THEIR PREPARATION AND USE
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The present disclosure relates to derivatives of 7-fatty acid substituted benzoxaborole and their preparation and use. The structural general formula of the derivatives is (I). The derivatives are used for the preparation of a medicament for the preventio
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- Benzo-borazol-7-position-fatty-acid ramification and preparing method and medicine application thereof
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The invention relates to a benzo-borazol-7-position-fatty-acid ramification and a preparing method and application thereof. The general formula of the ramification is defined in the specification, and the ramification is used for preparing medicine for pr
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Paragraph 0031; 0034
(2017/10/06)
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- Evaluation of substituted ebselen derivatives as potential trypanocidal agents
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Human African trypanosomiasis is a disease of sub-Saharan Africa, where millions are at risk for the illness. The disease, commonly referred to as African sleeping sickness, is caused by an infection by the eukaryotic pathogen, Trypanosoma brucei. Previously, a target-based high throughput screen revealed ebselen (EbSe), and its sulfur analog, EbS, to be potent in vitro inhibitors of the T. brucei hexokinase 1 (TbHK1). These molecules also exhibited potent trypanocidal activity in vivo. In this manuscript, we synthesized a series of sixteen EbSe and EbS derivatives bearing electron-withdrawing carboxylic acid and methyl ester functional groups, and evaluated the influence of these substituents on the biological efficacy of the parent scaffold. With the exception of one methyl ester derivative, these modifications ablated or blunted the potent TbHK1 inhibition of the parent scaffold. Nonetheless, a few of the methyl ester derivatives still exhibited trypanocidal effects with single-digit micromolar or high nanomolar EC50values.
- Gordhan, Heeren M.,Patrick, Stephen L.,Swasy, Maria I.,Hackler, Amber L.,Anayee, Mark,Golden, Jennifer E.,Morris, James C.,Whitehead, Daniel C.
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p. 537 - 541
(2017/01/17)
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- Structure-based design of novel naproxen derivatives targeting monomeric nucleoprotein of Influenza A virus
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The nucleoprotein (NP) binds the viral RNA genome as oligomers assembled with the polymerase in a ribonucleoprotein complex required for transcription and replication of influenza A virus. Novel antiviral candidates targeting the nucleoprotein either induced higher order oligomers or reduced NP oligomerization by targeting the oligomerization loop and blocking its insertion into adjacent nucleoprotein subunit. In this study, we used a different structure-based approach to stabilize monomers of the nucleoprotein by drugs binding in its RNA-binding groove. We recently identified naproxen as a drug competing with RNA binding to NP with antiinflammatory and antiviral effects against influenza A virus. Here, we designed novel derivatives of naproxen by fragment extension for improved binding to NP. Molecular dynamics simulations suggested that among these derivatives, naproxen A and C0 were most promising. Their chemical synthesis is described. Both derivatives markedly stabilized NP monomer against thermal denaturation. Naproxen C0 bound tighter to NP than naproxen at a binding site predicted by MD simulations and shown by competition experiments using wt NP or single-point mutants as determined by surface plasmon resonance. MD simulations suggested that impeded oligomerization and stabilization of monomeric NP is likely to be achieved by drugs binding in the RNA grove and inducing close to their binding site conformational changes of key residues hosting the oligomerization loop as observed for the naproxen derivatives. Naproxen C0 is a potential antiviral candidate blocking influenza nucleoprotein function.
- Tarus, Bogdan,Bertrand, Hélène,Zedda, Gloria,Di Primo, Carmelo,Quideau, Stéphane,Slama-Schwok, Anny
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p. 1899 - 1912
(2015/02/19)
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- BORON-CONTAINING SMALL MOLECULES AS ANTIPROTOZOAL AGENTS
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This invention provides novel compounds of the following formula useful for treating protozoal infections, pharmaceutical compositions containing such compounds, as well as combinations of these compounds with at least one additional therapeutically effective agent.
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Page/Page column 66
(2011/04/13)
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- Convenient and versatile synthesis of formyl-substituted benzoxaboroles
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Despite of the medicinal significance of benzoxaboroles, with the newly discovered clinical compound AN2690 as an example, the synthetic method for rapid diversification of this novel scaffold is lacking. To this end, a versatile and scalable synthesis of formyl-substituted benzoxaboroles is described here. A key step is the mono-oxidation of the two hydroxyls in compound 4 by taking advantage of the stable oxaborole ring in non-coordinating solvents, which was devised based on the study of the intramolecular coordination and exchange properties.
- Ye, Long,Ding, Dazhong,Feng, Yiqing,Xie, Dongsheng,Wu, Puhua,Guo, Hui,Meng, Qingqing,Zhou, Huchen
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experimental part
p. 8738 - 8744
(2009/12/28)
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- 180° unidirectional bond rotation in a biaryl lactone artificial molecular motor prototype
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(Diagram presented) A bifunctional biaryl lactone has been synthesized that should be capable of iterative unidirectional aryl-aryl bond rotation via: (1) a diastereoselective lactone ring opening, (S)-1 to (P,S)-2 or (M,S)-2; (2) a chemoselective lactoni
- Dahl, Bart J.,Branchaud, Bruce P.
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p. 5841 - 5844
(2007/10/03)
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- Rhodium Carbenoid Mediated Cyclizations of o-Alkynyl-Substituted α-Diazoacetophenones
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o-Alkynyl-substituted α-diazoacetophenones undergo facile cyclization to indenone derivatives upon treatment with catalytic quantities of Rh(II) carboxylates.A variety of structural influences were encountered by varying the nature of the substituent group attached to the alkyne carbon atom.The cyclization reaction involves addition of a rhodium stabilized carbenoid onto the acetylenic ?-bond to generate a vinyl carbenoid.The vinyl carbenoid was found to undergo both CH and CC migration as well as δ-CH insertion into the alkyl backbone.Different catalysts were shown to result in significant variation in the product ratios for these reactions.Treatment of o-(5-(allyloxy)-1-pentynyl)-α-diazoacetophenone with rhodium(II) mandelate afforded 2-(2-propen-1-yl)-2-(1-oxo-1H-indenyl)-2,3,4,5-tetrahydrofuran in high yield.The formation of this compound involves initial formation of a vinyl carbenoid which reacts with the neighboring oxygen atom to give an oxonium ylide which subsequently undergoes a 2,3-sigmatropic rearrangement.When 2-ethynyl-α-diazoacetophenone is used, only products derived from 6-endo closure are observed.Substituted o-alkynyl α-diazoacetophenones give products derived from 5-exo cyclization.The mode of ring closure is controlled by both steric and electronic factors.
- Padwa, Albert,Krumpe, Keith E.,Kassir, Jamal M.
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p. 4940 - 4948
(2007/10/02)
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