- Syntheses and characterizations of high refractive index and low birefringence polyimides containing spirobifluorene in the side chain
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Two new diamine monomers having a spirobifluorene structure were synthesized through four steps, and polymerized with three different dianhydrides (PMDA, CBDA and 6FDA) to obtain six polyimides with spirobifluorene structure in the side chain. All the res
- Wen, Pushan,He, Rui,Li, Xiang-Dan,Lee, Myong-Hoon
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Read Online
- Mild bromination of unreactive aromatic compounds
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N,N,N', N'-Tetrabromobenzene-1,3-disulfonamide and poly(N, N'-dibromo-N-ethylene-benzene-1,3-disulfonamide) in concentrated H 2SO4 can be used as efficient reagents for the mild bromination of unreactive arenes at room temperature, under solvent-free conditions, in good yields.
- Ghorbani-Vaghei, Ramin,Shahbazi, Hajar,Veisi, Hojat
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Read Online
- Role of electron-withdrawing remote substituents in neutral nickel(II) polymerization catalysts
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The novel neutral κ2-N,O-salicylaldiminato Ni(II) complex, [κ2-N,O-{2,6-(3′,5′-R2C 6H3)2C6H3-N=C(H)-(3,5- I2-2-O-C6H2)}NiCH3/sub
- Osichow, Anna,Goettker-Schnetmann, Inigo,Mecking, Stefan
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Read Online
- Transformative binding and release of gold guests from a self-assembled Cu8L4 tube
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Totally tubular: A linear M8L48+ receptor, which binds tightly and selectively to the dicyanoaurate anion, was assembled from simple organic subcomponents and copper(I) ions. The guest complex is not bound unchanged, but instead is transformed into a longer linear complex where two dicyanogold units are bridged by a central cation of copper/silver (see scheme). This complex optimally fills the cavity of the receptor but is not observed in the absence of the host.
- Meng, Wenjing,Clegg, Jack K.,Nitschke, Jonathan R.
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Read Online
- Superelectrophilic bromination of deactivated aromatic rings with tribromoisocyanuric acid-an experimental and DFT study
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The reaction of deactivated arenes with tribromoisocyanuric acid (TBCA) in 98% H2SO4 produced bromoarenes in good yields. The acidity of the medium controls the strength of the brominating agent and the amount of polybrominated products. DFT calculations at B3LYP/6-311++G** level showed that the protonated TBCA (a superelectrophilic species) can easily transfer Br+ to deactivated arenes, in order to decrease internal charge-charge repulsion.
- de Almeida, Leonardo S.,Esteves, Pierre M.,de Mattos, Marcio C.S.
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Read Online
- Elastic orange emissive single crystals of 1,3-diamino-2,4,5,6-tetrabromobenzene as flexible optical waveguides
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Single crystals of monoaromatic compounds exhibiting both mechanical softness and optical properties have attracted significant scientific interest in recent years, but they are very scarce. Herein, single crystals of 1,3-diamino-2,4,5,6-tetrabromobenzene
- Bhaktha B. N., Shivakiran,Biradha, Kumar,Choubey, Priyanka S.,Das, Susobhan,Gude, Venkatesh,Reddy, C. Malla
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supporting information
p. 9465 - 9472
(2021/08/10)
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- A radiobrominated tyrosine kinase inhibitor for egfr with l858r/t790m mutations in lung carcinoma
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Activating double mutations L858R/T790M in the epidermal growth factor receptor (EGFR) region are often observed as the cause of resistance to tyrosine kinase inhibitors (TKIs). Third‐generation EGFR‐TKIs, such as osimertinib and rociletinib (CO‐1686), wa
- Fawwaz, Muammar,Mishiro, Kenji,Nishii, Ryuichi,Makino, Akira,Kiyono, Yasushi,Shiba, Kazuhiro,Kinuya, Seigo,Ogawa, Kazuma
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- Deconstructing Noncovalent Kelch-like ECH-Associated Protein 1 (Keap1) Inhibitors into Fragments to Reconstruct New Potent Compounds
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Targeting the protein-protein interaction (PPI) between nuclear factor erythroid 2-related factor 2 (Nrf2) and Kelch-like ECH-associated protein 1 (Keap1) is a potential therapeutic strategy to control diseases involving oxidative stress. Here, six classes of known small-molecule Keap1-Nrf2 PPI inhibitors were dissected into 77 fragments in a fragment-based deconstruction reconstruction (FBDR) study and tested in four orthogonal assays. This gave 17 fragment hits of which six were shown by X-ray crystallography to bind in the Keap1 Kelch binding pocket. Two hits were merged into compound 8 with a 220-380-fold stronger affinity (Ki = 16 μM) relative to the parent fragments. Systematic optimization resulted in several novel analogues with Ki values of 0.04-0.5 μM, binding modes determined by X-ray crystallography, and enhanced microsomal stability. This demonstrates how FBDR can be used to find new fragment hits, elucidate important ligand-protein interactions, and identify new potent inhibitors of the Keap1-Nrf2 PPI.
- Pallesen, Jakob S.,Narayanan, Dilip,Tran, Kim T.,Solbak, Sara M. ?.,Marseglia, Giuseppe,S?rensen, Louis M. E.,H?j, Lars J.,Munafò, Federico,Carmona, Rosa M. C.,Garcia, Anthony D.,Desu, Haritha L.,Brambilla, Roberta,Johansen, Tommy N.,Popowicz, Grzegorz M.,Sattler, Michael,Gajhede, Michael,Bach, Anders
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supporting information
p. 4623 - 4661
(2021/05/07)
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- Pd-Catalyzed Decarboxylative Ortho-Halogenation of Aryl Carboxylic Acids with Sodium Halide NaX Using Carboxyl as a Traceless Directing Group
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A highly regioselective Pd-catalyzed carboxyl directed decarboxylative ortho-C-H halogenation of cheap o-nitrobenzoic acids with NaX (X = I, Br) under aerobic conditions has been established. The utility of the method has been demonstrated by the gram-scale reaction and derivatization of the product. Experimental results have confirmed Pd and Bi played critical roles in the transformation and indicated the transformation might proceed via 2-halo-6-nitrobenzoic acid derivative intermediate.
- Fu, Zhengjiang,Jiang, Yongqing,Wang, Shuiliang,Song, Yuanyuan,Guo, Shengmei,Cai, Hu
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supporting information
p. 3003 - 3007
(2019/05/10)
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- Indole compound as well as preparation method, pharmaceutical composition and application thereof
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The invention discloses an indole compound as well as a preparation method, a pharmaceutical composition and an application thereof. Specifically, the invention relates to an indole derivative as shown in a general formula I and a medicinal salt thereof, a preparation method of the indole derivative, a composition containing one or more compounds, and applications of the compounds in preparation of medicines for preventing and/or treating diseases related to IDO1 and/or TDO.
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Paragraph 0551-0556
(2019/12/02)
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- Synthesis of 1,5-bifunctional organolithium reagents by a double directed ortho-metalation: Direct transformation of esters into 1,8-dimethoxy-acridinium salts
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The impact of electronic and steric factors on the selectivity of the electrophilic aromatic substitution amounts to several limitations in accessing specific substitution patterns. Nucleophiles generated by directed metalation represent an effective alte
- Fischer, Christian,Sparr, Christof
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p. 5486 - 5493
(2018/05/29)
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- PROCESS FOR THE PREPARATION OF A SULFONAMIDE STRUCTURED KINASE INHIBITOR
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The present invention relates to an improved process for the preparation of a sulfonamide structured kinase inhibitor, namely N-(2',4'-difluoro-5-(5-(1-methyl-1H- pyrazol-4-yl)-1H-benzo[d]imidazol-1-yl)-[1,1'-biphenyl]-3-yl)cyclopropanesulfon- amide (1A)
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Page/Page column 11; 12
(2018/10/19)
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- MONOMER, POLYMER, COMPENSATION FILM, OPTICAL FILM, AND DISPLAY DEVICE
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A monomer represented by Chemical Formula 1-1 wherein in Chemical Formula 1-1, Z, L1, L2, R1 to R6, n, m, p, and a to f are the same as defined in the detailed description.
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Paragraph 0250; 0251
(2017/03/21)
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- Indole and quinoline derivatives and its preparation method and application
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The invention provides an indoloquinoline derivative, a preparation method and application thereof in preparing antitumor drugs and antiviral drugs. The chemical structure of the indoloquinoline derivative is shown as a formula I. Experiments show that a partly-boric-acid-modified indoloquinoline derivative and a non-boric-acid-modified indoloquinoline derivative have strong inhibition effect on various tumor cell strains, thereby being capable of being used for preparation of the antitumor drugs, and have strong antiviral activity, thereby being capable of being used for preparation of the antiviral drugs.
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Paragraph 0075
(2017/02/28)
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- PROTEIN KINASE INHIBITORS
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A compound of formula (I), wherein R3, R4, G, B, M, and Z are as defined in the claims, and pharmaceutically acceptable salts thereof are disclosed. The compounds of formula (I) possess utility as FGFR inhibitors and are useful in the treatment of a condition, where FGFR kinase inhibition is desired, such as cancer.
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Paragraph 0190
(2015/02/18)
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- Novel N-linked aminopiperidine-based gyrase inhibitors with improved hERG and in vivo efficacy against mycobacterium tuberculosis
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DNA gyrase is a clinically validated target for developing drugs against Mycobacterium tuberculosis (Mtb). Despite the promise of fluoroquinolones (FQs) as anti-tuberculosis drugs, the prevalence of pre-existing resistance to FQs is likely to restrict their clinical value. We describe a novel class of N-linked aminopiperidinyl alkyl quinolones and naphthyridones that kills Mtb by inhibiting the DNA gyrase activity. The mechanism of inhibition of DNA gyrase was distinct from the fluoroquinolones, as shown by their ability to inhibit the growth of fluoroquinolone-resistant Mtb. Biochemical studies demonstrated this class to exert its action via single-strand cleavage rather than double-strand cleavage, as seen with fluoroquinolones. The compounds are highly bactericidal against extracellular as well as intracellular Mtb. Lead optimization resulted in the identification of potent compounds with improved oral bioavailability and reduced cardiac ion channel liability. Compounds from this series are efficacious in various murine models of tuberculosis.
- Hameed P, Shahul,Patil, Vikas,Solapure, Suresh,Sharma, Umender,Madhavapeddi, Prashanti,Raichurkar, Anandkumar,Chinnapattu, Murugan,Manjrekar, Praveena,Shanbhag, Gajanan,Puttur, Jayashree,Shinde, Vikas,Menasinakai, Sreenivasaiah,Rudrapatana, Suresh,Achar, Vijayashree,Awasthy, Disha,Nandishaiah, Radha,Humnabadkar, Vaishali,Ghosh, Anirban,Narayan, Chandan,Ramya,Kaur, Parvinder,Sharma, Sreevalli,Werngren, Jim,Hoffner, Sven,Panduga, Vijender,Kumar, C. N. Naveen,Reddy, Jitendar,Kumar Kn, Mahesh,Ganguly, Samit,Bharath, Sowmya,Bheemarao, Ugarkar,Mukherjee, Kakoli,Arora, Uma,Gaonkar, Sheshagiri,Coulson, Michelle,Waterson, David,Sambandamurthy, Vasan K.,De Sousa, Sunita M.
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supporting information
p. 4889 - 4905
(2014/07/07)
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- PROTEIN KINASE INHIBITORS
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A compound of formula (I), wherein R3, R4, G, B, M, and Z are as defined in the claims, and pharmaceutically acceptable salts thereof are disclosed. The compounds of formula (I) possess utility as FGFR inhibitors and are useful in the treatment of a condition, where FGFR kinase inhibition is desired, such as cancer.
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Page/Page column 49
(2013/04/25)
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- AMINOPYRIMIDINES AS SYK INHIBITORS
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The present invention provides novel pyrimidine amines of formula (I) which are potent inhibitors of spleen tyrosine kinase, and are useful in the treatment and prevention of diseases mediated by said enzyme, such as asthma, COPD and rheumatoid arthritis.
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Page/Page column 46
(2011/07/07)
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- MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS
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The present invention relates to macrocyclic compounds of Formula I: or pharmaceutically acceptable salts thereof or quaternary ammonium salts thereof wherein constituent members are provided hereinwith, as well as their compositions and methods of use, w
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Page/Page column 84
(2009/12/05)
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- Bromination of deactivated aromatics: A simple and efficient method
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(Chemical Equation Presented) Highly deactivated aromatic compounds were smoothly monobrominated by treatment with N-bromosuccinimide (NBS) in concentrated H2SO4 medium affording the corresponding bromo derivatives in good yields. Mild reaction conditions and simple workup provides a practical and commercially viable route for the synthesis of bromo compounds of deactivated aromatics.
- Rajesh,Somasundaram,Saiganesh,Balasubramanian
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p. 5867 - 5869
(2008/02/09)
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- Synthesis and antimalarial activity of new isotebuquine analogues
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Amodiaquine (AQ) and tebuquine are 4-aminoquinoline antimalarials with Mannich base side chain and are highly effective against chloroquine (CQ)-resistant strains of Plasmodium falciparum. Clinical use of AQ has been severely restricted due to hepatoxicit
- Miroshnikova, Olga V.,Hudson, Thomas H.,Gerena, Lucia,Kyle, Dennis E.,Lin, Ai J.
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p. 889 - 896
(2007/10/03)
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- Efficient one-pot transformation of aminoarenes to haloarenes using halodimethylisulfonium halides generated in situ
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Halodimethylsulfonium halide 1, which is readily formed in situ from hydrohaloic acid and DMSO, is a good nucleophilic halide. This activated nucleophilic halide rapidly converts aryldiazonium salt prepared in situ by the same hydrohaloic acid and nitrite ion to aryl chlorides, bromides, or iodides in good yield. The combined action of nitrite ion and hydrohaloic acid in DMSO is required for the direct transformation of aromatic amines, which results in the production of aryl halides within 1 h. Substituted compounds with electron-donating or -withdrawing groups or sterically hindered aromatic amines are also smoothly transformed to the corresponding aromatic halides. The only observed by-product is the deaminated arene (usually 7%). The isolated aryldiazonium salts can also be converted to the corresponding aryl halides using 1. The present method offers a facile, one-step procedure for transforming aminoarenes to haloarenes and lacks the environmental pollutants that usually accompany the Sandmeyer reaction using copper halides.
- Baik, Woonphil,Luan, Wanqiang,Lee, Hyun Joo,Yoon, Cheol Hun,Koo, Sangho,Kim, Byeong Hyo
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p. 213 - 219
(2007/10/03)
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- Preparative fluorous mixture synthesis of diazonium-functionalized oligo(phenylene vinylene)s
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(Chemical Equation Presented) A series of building blocks for the synthesis of oligo(phenylene vinylene)s (OPVs) and hybrid oligomers were prepared, and alternating Heck coupling and Horner-Wadswoth-Emmons (HWE) reactions were used to couple the building blocks. Model studies were carried out to optimize the reaction strategies. The products were made to bear aryl diazonium functionalities that allow them to be used as surface grafting moieties in hybrid silicon/molecule assemblies. A library of OPV and hybrid oligomer tetramers was synthesized using fluorous mixture synthesis (FMS). The fluorous tags, which are secondary amines bearing different numbers of fluorine atoms, were synthesized and used as phase tags in mixture synthesis. The tags and substrates were anchored together by triazene linkages. The mixture synthesis was monitored by analytical HPLC on a fluorous column, and isolation of final OPV and hybrid oligomer tetramers was achieved by preparative HPLC. At the end of the FMS, after demixing, the tagged products were detagged by cleaving the triazene linkage and generating a series of aryl diazonium compounds. The fluorous tags could be recovered and reused. The NMR spectra of the 1-aryl-3,3-dialkyltriazenes are discussed.
- Jian, Huahua,Tour, James M.
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p. 3396 - 3424
(2007/10/03)
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- The structural effects on the pretilt angle of alignment materials with alkylcyclohexylbenzene as a side chain in polyimides
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We have investigated the relationship between the surface property of rubbed polyimides and the variation of pretilt angle according to the side chain and main chain structures. We calculated the surface free energy of synthesized polyimide surface by mea
- Lee, Jong-Beom,Lee, Hyun-Kyung,Park, Jae-Chul,Kim, Yong-Bae
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p. 161/[2027]-172/[2038]
(2007/10/03)
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- Pyridine, pyrimidine, quinoline, quinazoline, and naphthalene urotensin-II receptor antagonists
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The present invention relates to urotensin II receptor antagonists, pharmaceutical compositions containing them and their use.
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- Aromatic allylation via diazotization: Variation of the allylic moiety and a short route to a benzazepine derivative
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A continued study of the recently discovered diazotizative allylation (DiazAll) reaction of aniline derivatives is reported. Several allyl reagents, commonly used in radical allylation reactions, were evaluated, and some of these reagents resulted in ally
- Ek, Fredrik,Wistrand, Lars-Goeran,Frejd, Torbjoern
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p. 1911 - 1918
(2007/10/03)
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- Bromination by means of sodium monobromoisocyanurate (SMBI)
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A variety of aromatic compounds with both activating and deactivating substituents were brominated with sodium monobromoisocyanurate (SMBI) 1, diethyl ether, diethyl ether-methanesulfonic acid, trifluoroacetic acid, or sulfuric acid were employed as solvents. Thus nitrobenzene was conveniently brominated in sulfuric acid, benzene was readily monobrominated in diethyl ether-methanesulfonic acid, and phenol was selectively brominated at the ortho position under mild conditions in refluxing diethyl ether. With substituents that are easily protonated, trifluoroacetic acid may be employed as solvent in the reaction with 1, in contrast NBS was ineffective in trifluoroacetic acid. This renders 1 a superior reagent relative to NBS. In addition to aromatics, alkenes, ketones and esters were also brominated with 1. Diethyl malonate was brominated with 1 and then subjected to a Bingel reaction with NaH to afford the desired methanofullerene in reasonable yield.
- Okada, Yukihiro,Yokozawa, Masanori,Akiba, Miwa,Oishi, Kazuhiko,O-Kawa, Kyoji,Akeboshi, Tomohiro,Kawamura, Yasuo,Inokuma, Seiichi,Nakamura, Yosuke,Nishimura, Jun
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p. 2506 - 2511
(2007/10/03)
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- A convenient new method for the bromination of deactivated aromatic compounds
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Treatment of deactivated aromatic compounds with N-bromosuccinimide in trifluoroacetic acid solvent in the presence of sulfuric acid gave the corresponding monobromoaromatic compounds in good to excellent yields.
- Duan, Jianxin,Zhang, Lian Hao,Dolbier Jr., William R.
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p. 1245 - 1246
(2007/10/03)
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- Elemental fluorine. Part 4. Use of elemental fluorine for the halogenation of aromatics
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New methodolgy for direct iodination of benzenoid compounds has been developed; the aromatic substrate is simply mixed with iodine and sulfuric acid, suspended in an inert medium, such as 1,1,2-trichlorotrifluoroethane (CF2ClCFCl2) or perfluorocarbon, and elemental fluorine is passed through the system at room temperature. High conversions to iodoaromatic products occur, even with some deactivated systems, e.g. nitrobenzene. A very powerful brominating system is produced using the analagous methodology.
- Chambers, Richard D.,Skinner, Christopher J.,Atherton, Malcolm J.,Moilliet, John S.
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p. 1659 - 1664
(2007/10/03)
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- BROMINATION OF DEACTIVATED AROMATIC COMPOUNDS
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Unreactive aromatic compounds can be brominated with high yields by the action of bromine and nitric acid or another oxidizing agent (iodic acid, hydrogen peroxide, etc.) in concentrated sulfuric acid or oleum.Bromination in the presence of nitric acid has lower substrate selectivity than the concurrent nitration.Moderately deactivated aromatic substrates are nitrated initially, whereas inactive substrates are brominated.It is suggested that the electrophilic brominating agent is sulfohypobromite in the form of a complex with sulfuric acid.
- Andrievskii, A.M.,Gorelik, M.V.,Avidon, S.V.,Al'tman, E.Sh.
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p. 1519 - 1524
(2007/10/02)
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- Novel Aromatic Bromination Using BrF Prepared Directly from the Corresponding Elements
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BrF, made directly from the corresponding elements, may be used without any catalyst as an efficient electrophilic brominating agent in its reactions with activated and deactivated aromatic rings.
- Rozen, Shlomo,Brand, Michael
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p. 752 - 753
(2007/10/02)
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- Substituent Effects on the Decarboxylation of Dinitrobenzoate Ions, Representative Aromatic SE1 Reactions
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Kinetics of decarboxylation, in water solution, of several 4-substituted 2,6-dinitrobenzoic and 2-substituted 4,6-dinitrobenzoic acids were determined, at several temperatures.The reactions are first order at the low concentrations employed, at which the acids are fully dissociated.Decarboxylation is accelerated by electron-attracting substituents; the Hammett ρ for the effects of 4-substituents is about +2.6.All the decarboxylations involve large positive enthalpies and entropies of activation.The solvent kinetic isotope effect (D2O/H2O) is not significantly different from unity.The data support a mechanism where in the substituted benzoate ion loses CO2 in the rate-determining step, forming a substituted aryl anion, which is then rapidly hydronated by the solvent.In the case of 2-methoxy-4,6-dinitrobenzoate ion, reaction occured with strikingly different activation parameters.
- Segura, Pascual,Bunnett, Joseph F.,Villanova, Laura
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p. 1041 - 1045
(2007/10/02)
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- Nucleophilic Addition of Silyl Enol Ethers to Aromatic Nitro Compounds: Scope and Mechanism of Reaction
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In sharp contrast to alkali-metal enolates, silyl enol ethers and ketene silyl acetals add to aromatic nitro compounds in the presence of a fluoride ion source to give the intermediate dihydroaromatic nitronates, which can be observed by NMR.In situ oxidation of the intermediate with bromine or DDQ yields α-nitroaryl carbonyl compounds in moderate-to-high yields.The reaction is applicable to alkyl-, alkoxy-, and halogen-substituted nitrobenzenes as well as to heterocyclic and condensed nitroaromatic compounds.While substitution ortho to the nitro group predominates with sterically undemanding silyl reagents, para-substitution products are exclusively obtained with bulky reagents.However, by blocking the para position with an appropriate group such as chlorine, the addition can be directed to the ortho position.Halogen atoms of halogenated nitroaromatics and p-nitrocumenyl chloride are not displaced in the reaction, suggesting the absence of radical ion intermediates.Dihydroaromatic nitro derivatives ca be isolated in some cases, such as anthracene and naphthalene systems which are less prone to rearomatize.
- RajanBabu, T. V.,Reddy, G. S.,Fukunaga, Tadamichi
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p. 5473 - 5483
(2007/10/02)
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