The Absolute Best Science Experiment for Indolin-2-one

Formula: C8H7NO. In 2020.0 ACS CATAL published article about GAMMA-SUBSTITUTED ALLENOATES; UMPOLUNG ADDITION-REACTION; CROSS-COUPLING REACTION; MORITA-BAYLIS-HILLMAN; DIASTEREOSELECTIVE SYNTHESIS; SEQUENTIAL ANNULATION; BOND FORMATION; 3+2 CYCLOADDITION; MICHAEL ADDITION; DOMINO REACTION in [Feng, Jiaxu; Huang, You] Nankai Univ, Coll Chem, State Key Lab, Tianjin 300071, Peoples R China; [Feng, Jiaxu; Huang, You] Nankai Univ, Coll Chem, Inst Elementoorgan Chem, Tianjin 300071, Peoples R China in 2020.0, Cited 105.0. The Name is Indolin-2-one. Through research, I have a further understanding and discovery of 59-48-3.

Formula: C8H7NO. In 2020.0 ACS CATAL published article about GAMMA-SUBSTITUTED ALLENOATES; UMPOLUNG ADDITION-REACTION; CROSS-COUPLING REACTION; MORITA-BAYLIS-HILLMAN; DIASTEREOSELECTIVE SYNTHESIS; SEQUENTIAL ANNULATION; BOND FORMATION; 3+2 CYCLOADDITION; MICHAEL ADDITION; DOMINO REACTION in [Feng, Jiaxu; Huang, You] Nankai Univ, Coll Chem, State Key Lab, Tianjin 300071, Peoples R China; [Feng, Jiaxu; Huang, You] Nankai Univ, Coll Chem, Inst Elementoorgan Chem, Tianjin 300071, Peoples R China in 2020.0, Cited 105.0. The Name is Indolin-2-one. Through research, I have a further understanding and discovery of 59-48-3.

A phosphine-catalyzed remote 1,7-addition of vinyl allenoates has been developed, providing a series of 1,3-dienes derivatives in high yields (up to 99%) and with good chemo-, regio-, and stereoselectivity. This reaction demonstrated that the introduction of vinyl in allenoates effectively extended reaction types of phosphine-catalyzed nucleophilic addition of allenoates, leading to concise synthesis of diene carboxylates. Notably, the enantioselective variant of this 1,7-addition can also be performed by chiral phosphine catalyst.

Welcome to talk about 59-48-3, If you have any questions, you can contact Feng, JX; Huang, Y or send Email.. Formula: C8H7NO

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In 2020.0 ACS APPL ENERG MATER published article about MICROPOROUS ORGANIC POLYMERS; GAS-STORAGE; HYPERCROSSLINKED POLYSTYRENE; LINKED POLYMERS; SURFACE-AREA; INTRINSIC MICROPOROSITY; NANOPOROUS POLYMER; HIGH-PERFORMANCE; BUILDING-BLOCKS; TROGERS BASE in [Sadak, Ali Enis; Karakus, Erman] TUBITAK UME, Chem Grp Labs, TR-41470 Kocaeli, Turkey; [Chumakov, Yurii M.] Gebze Tech Univ, Dept Phys, TR-41400 Kocaeli, Turkey; [Dogan, Nesibe A.; Yavuz, Cafer T.] Korea Adv Inst Sci & Technol KAIST, Dept Chem & Biomol Engn, Daejeon 34141, South Korea in 2020.0, Cited 74.0. The Name is Indolin-2-one. Through research, I have a further understanding and discovery of 59-48-3. Quality Control of Indolin-2-one

In 2020.0 ACS APPL ENERG MATER published article about MICROPOROUS ORGANIC POLYMERS; GAS-STORAGE; HYPERCROSSLINKED POLYSTYRENE; LINKED POLYMERS; SURFACE-AREA; INTRINSIC MICROPOROSITY; NANOPOROUS POLYMER; HIGH-PERFORMANCE; BUILDING-BLOCKS; TROGERS BASE in [Sadak, Ali Enis; Karakus, Erman] TUBITAK UME, Chem Grp Labs, TR-41470 Kocaeli, Turkey; [Chumakov, Yurii M.] Gebze Tech Univ, Dept Phys, TR-41400 Kocaeli, Turkey; [Dogan, Nesibe A.; Yavuz, Cafer T.] Korea Adv Inst Sci & Technol KAIST, Dept Chem & Biomol Engn, Daejeon 34141, South Korea in 2020.0, Cited 74.0. The Name is Indolin-2-one. Through research, I have a further understanding and discovery of 59-48-3. Quality Control of Indolin-2-one

A hypercrosslinked ultramicroporous and ordered organic polymer network was synthesized from a planar trimer indole building block called triazatruxene (TAT) through anhydrous FeCl3 catalyzed Friedel-Crafts alkylation using methylal as a crosslinker. The polymer network is stable in a variety of chemicals and thermally durable. The hypercrosslinked network TATHCP shows a high BET (Brunauer-Emmet-Teller) specific surface area of 997 m(2) g(-1) with CO2 uptake capacity of 12.55 wt % at 273 K, 1.1 bar. Gas selectivities of 38.4 for CO2/N-2, 7.8 for CO2/CH4, 40.6 for CO2/O-2, and 32.1 for CO2/CO were achieved through IAST calculation. The PXRD analysis has revealed that TATHCP has a fully eclipsed structure in full agreement with Pawley refinement. The ordered 2D layers provide anisotropy that could be used in catalysis and thermoelectric measurements. After loading with Pd(II), TATHCP-Pd showed high catalytic activity in Suzuki-Miyaura cross coupling reaction with a wide range of reagents and excellent reaction yields of 90-98% with good recyclability. The structure of TATHCP-Pd was found to have two independent molecules of Pd(OAc)(2) in the asymmetric unit cell which are arranged between two TATHCP layers. Thermoelectric properties of TATHCP showed a high Seebeck coefficient and ZT, a first and promising example in HCPs with applications in all-organic thermal energy recovery devices.

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Alkayal, A; Tabas, V; Montanaro, S; Wright, IA; Malkov, AV; Buckley, BR in [Alkayal, Anas; Tabas, Volodymyr; Montanaro, Stephanie; Wright, Iain A.; Malkov, Andrei V.; Buckley, Benjamin R.] Loughborough Univ, Sch Sci, Dept Chem, Loughborough LE11 3TU, Leics, England published Harnessing Applied Potential: Selective beta-Hydrocarboxylation of Substituted Olefins in 2020, Cited 31. Category: indolines-derivatives. The Name is Indolin-2-one. Through research, I have a further understanding and discovery of 59-48-3.

Alkayal, A; Tabas, V; Montanaro, S; Wright, IA; Malkov, AV; Buckley, BR in [Alkayal, Anas; Tabas, Volodymyr; Montanaro, Stephanie; Wright, Iain A.; Malkov, Andrei V.; Buckley, Benjamin R.] Loughborough Univ, Sch Sci, Dept Chem, Loughborough LE11 3TU, Leics, England published Harnessing Applied Potential: Selective beta-Hydrocarboxylation of Substituted Olefins in 2020, Cited 31. Category: indolines-derivatives. The Name is Indolin-2-one. Through research, I have a further understanding and discovery of 59-48-3.

The construction of carboxylic acid compounds in a selective fashion from low value materials such as alkenes remains a long-standing challenge to synthetic chemists. In particular, beta-addition to styrenes is underdeveloped. Herein we report a new electrosynthetic approach to the selective hydrocarboxylation of alkenes that overcomes the limitations of current transition metal and photochemical approaches. The reported method allows unprecedented direct access to carboxylic acids derived from beta,beta-trisubstituted alkenes, in a highly regioselective manner.

Category: indolines-derivatives. Welcome to talk about 59-48-3, If you have any questions, you can contact Alkayal, A; Tabas, V; Montanaro, S; Wright, IA; Malkov, AV; Buckley, BR or send Email.

Reference:
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I found the field of Chemistry very interesting. Saw the article MnO2@Fe3O4 Magnetic Nanoparticles as Efficient and Recyclable Heterogeneous Catalyst for Benzylic sp(3) C-H Oxidation published in 2019. Formula: C8H7NO, Reprint Addresses Gnanaprakasam, B (corresponding author), Indian Inst Sci Educ & Res, Dept Chem, Pune 411008, Maharashtra, India.. The CAS is 59-48-3. Through research, I have a further understanding and discovery of Indolin-2-one

I found the field of Chemistry very interesting. Saw the article MnO2@Fe3O4 Magnetic Nanoparticles as Efficient and Recyclable Heterogeneous Catalyst for Benzylic sp(3) C-H Oxidation published in 2019. Formula: C8H7NO, Reprint Addresses Gnanaprakasam, B (corresponding author), Indian Inst Sci Educ & Res, Dept Chem, Pune 411008, Maharashtra, India.. The CAS is 59-48-3. Through research, I have a further understanding and discovery of Indolin-2-one

Herein, we report a highly chemoselective and efficient heterogeneous MnO2@Fe3O4 MNP catalyst for the oxidation of benzylic sp(3) C-H group of ethers using TBHP as a green oxidant to afford ester derivatives in high yield under batch/continuous flow module. This catalyst was also effective for the benzylic sp(3) C-H group of methylene derivatives to furnish the ketone in high yield which can be easily integrated into continuous flow condition for scale up. The catalyst is fully characterized by spectroscopic techniques and it was found that 0.424 % MnO2@Fe3O4 catalyzes the reaction; the magnetic nanoparticles of this catalyst could be easily recovered from the reaction mixture. The recovered catalyst was recycled for twelve cycles without any loss of the catalytic activity. The advantages of MnO2@Fe3O4 MNP are its catalytic activity, easy preparation, recovery, and recyclability, gram scale synthesis with a TOF of up to 14.93 h(-1) and low metal leaching during the reaction.

Formula: C8H7NO. Welcome to talk about 59-48-3, If you have any questions, you can contact Pandey, AM; Agalave, SG; Vinod, CP; Gnanaprakasam, B or send Email.

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Formula: C8H7NO. Crotti, S; Di Iorio, N; Artusi, C; Mazzanti, A; Righi, P; Bencivenni, G in [Crotti, Simone; Di Iorio, Nicola; Artusi, Chiara; Mazzanti, Andrea; Righi, Paolo; Bencivenni, Giorgio] Univ Bologna, Dept Ind Chem Toso Montanari, Viale Risorgimento 4, I-40136 Bologna, Italy published Direct Access to Alkylideneoxindoles via Axially Enantioselective Knoevenagel Condensation in 2019, Cited 65. The Name is Indolin-2-one. Through research, I have a further understanding and discovery of 59-48-3.

Formula: C8H7NO. Crotti, S; Di Iorio, N; Artusi, C; Mazzanti, A; Righi, P; Bencivenni, G in [Crotti, Simone; Di Iorio, Nicola; Artusi, Chiara; Mazzanti, Andrea; Righi, Paolo; Bencivenni, Giorgio] Univ Bologna, Dept Ind Chem Toso Montanari, Viale Risorgimento 4, I-40136 Bologna, Italy published Direct Access to Alkylideneoxindoles via Axially Enantioselective Knoevenagel Condensation in 2019, Cited 65. The Name is Indolin-2-one. Through research, I have a further understanding and discovery of 59-48-3.

The organocatalytic axially enantioselective Knoevenagel condensation between prochiral cyclohexanones and oxindoles is presented. The reaction, promoted by a primary amine, proceeded smoothly and furnished unprecedented examples of novel cyclohexylidene oxindoles displaying axial chirality.

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Recommanded Product: 59-48-3. Basak, S; Alvarez-Montoya, A; Winfrey, L; Melen, RL; Morrill, LC; Pulis, AP in [Basak, Shyam; Melen, Rebecca L.; Morrill, Louis C.] Cardiff Univ, Sch Chem, Cardiff Catalysis Inst, Cardiff CF10 3AT, Wales; [Alvarez-Montoya, Ana; Winfrey, Laura; Pulis, Alexander P.] Univ Leicester, Sch Chem, Leicester LE1 7RH, Leics, England published B(C6F5)(3)-Catalyzed Direct C3 Alkylation of Indoles and Oxindoles in 2020, Cited 60. The Name is Indolin-2-one. Through research, I have a further understanding and discovery of 59-48-3.

Recommanded Product: 59-48-3. Basak, S; Alvarez-Montoya, A; Winfrey, L; Melen, RL; Morrill, LC; Pulis, AP in [Basak, Shyam; Melen, Rebecca L.; Morrill, Louis C.] Cardiff Univ, Sch Chem, Cardiff Catalysis Inst, Cardiff CF10 3AT, Wales; [Alvarez-Montoya, Ana; Winfrey, Laura; Pulis, Alexander P.] Univ Leicester, Sch Chem, Leicester LE1 7RH, Leics, England published B(C6F5)(3)-Catalyzed Direct C3 Alkylation of Indoles and Oxindoles in 2020, Cited 60. The Name is Indolin-2-one. Through research, I have a further understanding and discovery of 59-48-3.

The direct C3 alkylation of indoles and oxindoles is a challenging transformation, and only a few direct methods exist. Utilizing the underexplored ability of triaryl boranes to mediate the heterolytic cleavage of alpha-nitrogen C-H bonds in amines, we have developed a catalytic approach for the direct C3 alkylation of a wide range of indoles and oxindoles using amine-based alkylating agents. We also employed this borane-catalyzed strategy in an alkylation-ring opening cascade.

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An article Selective C3-alkenylation of oxindole with aldehydes using heterogeneous CeO2 catalyst WOS:000531430200008 published article about ENANTIOSELECTIVE CONSTRUCTION; AMIDES; NITRILES; ALCOHOLS; ESTERS; ACTIVATION; HYDRATION; VERSATILE; ISATIN in [Rashed, Md Nurnobi; Touchy, Abeda Sultana; Jeon, Jaewan; Siddiki, S. M. A. Hakim; Toyao, Takashi; Shimizu, Ken-ichi] Hokkaido Univ, Inst Catalysis, N-21,W-10, Sapporo, Hokkaido 0010021, Japan; [Chaudhari, Chandan] Nagoya Univ, Grad Sch Engn, Dept Chem Syst Engn, Nagoya, Aichi 4648603, Japan; [Toyao, Takashi; Shimizu, Ken-ichi] Kyoto Univ, Elements Strategy Initiat Catalysts & Batteries, Kyoto 6158520, Japan in 2020.0, Cited 39.0. Quality Control of Indolin-2-one. The Name is Indolin-2-one. Through research, I have a further understanding and discovery of 59-48-3

An article Selective C3-alkenylation of oxindole with aldehydes using heterogeneous CeO2 catalyst WOS:000531430200008 published article about ENANTIOSELECTIVE CONSTRUCTION; AMIDES; NITRILES; ALCOHOLS; ESTERS; ACTIVATION; HYDRATION; VERSATILE; ISATIN in [Rashed, Md Nurnobi; Touchy, Abeda Sultana; Jeon, Jaewan; Siddiki, S. M. A. Hakim; Toyao, Takashi; Shimizu, Ken-ichi] Hokkaido Univ, Inst Catalysis, N-21,W-10, Sapporo, Hokkaido 0010021, Japan; [Chaudhari, Chandan] Nagoya Univ, Grad Sch Engn, Dept Chem Syst Engn, Nagoya, Aichi 4648603, Japan; [Toyao, Takashi; Shimizu, Ken-ichi] Kyoto Univ, Elements Strategy Initiat Catalysts & Batteries, Kyoto 6158520, Japan in 2020.0, Cited 39.0. Quality Control of Indolin-2-one. The Name is Indolin-2-one. Through research, I have a further understanding and discovery of 59-48-3

We report herein that a commercially available CeO2 is an active and reusable catalyst for the C3-selective alkenylation of oxindole with aldehydes under solvent-free conditions. This. catalytic method is generally applicable to different aromatic and aliphatic aldehydes, giving 3-alkyledene-oxindoles in high yields (87%-99%) and high stereoselectivities (79%-93% to E-isomers). This is the first example of the catalytic synthesis of 3-alkenyl-oxindoles from oxindole and various aliphatic aldehydes. The Lewis acid-base interaction between Lewis acid sites on CeO2 and benzaldehyde was studied by in situ IR. The structure-activity relationship study using CeO2 catalysts with different sizes suggests that defect-free CeO2 surface is the active site for this reaction. (C) 2020, Dalian Institute of Chemical Physics, Chinese Academy of Sciences. Published by Elsevier B.V. All rights reserved.

Quality Control of Indolin-2-one. Welcome to talk about 59-48-3, If you have any questions, you can contact Rashed, MN; Touchy, AS; Chaudhari, C; Jeon, J; Siddiki, SMAH; Toyao, T; Shimizu, K or send Email.

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I found the field of Biochemistry & Molecular Biology; Entomology; Physiology very interesting. Saw the article Discovery of novel indole derivatives containing dithioacetal as potential antiviral agents for plants published in 2020.0. Recommanded Product: Indolin-2-one, Reprint Addresses Hu, DY; Song, BA (corresponding author), Guizhou Univ, Minist Educ, Key Lab Green Pesticide & Agr Bioengn, State Key Lab Breeding Base Green Pesticide & Agr, Guiyang 550025, Peoples R China.. The CAS is 59-48-3. Through research, I have a further understanding and discovery of Indolin-2-one

I found the field of Biochemistry & Molecular Biology; Entomology; Physiology very interesting. Saw the article Discovery of novel indole derivatives containing dithioacetal as potential antiviral agents for plants published in 2020.0. Recommanded Product: Indolin-2-one, Reprint Addresses Hu, DY; Song, BA (corresponding author), Guizhou Univ, Minist Educ, Key Lab Green Pesticide & Agr Bioengn, State Key Lab Breeding Base Green Pesticide & Agr, Guiyang 550025, Peoples R China.. The CAS is 59-48-3. Through research, I have a further understanding and discovery of Indolin-2-one

Thirty unreported indole derivatives containing dithioacetal moiety were synthesized and evaluated for antiplant viral activity. Bioassay results displayed that some of the target compounds showed better activities against tobacco mosaic virus (TMV) than the commercial Ribavirin in vivo. In particular, anti-TMV curative, protective and inactivating activity of 4p were 55.1, 57.2, and 80.3%, respectively, and EC50 value for inactivating activity was 88.5 mu g/mL. The observation of transmission electron microscope showed that 4p may have a certain destructive effect on TMV particles. To further study, microscale thermophoresis analysis result also demonstrated that 4p powerfully interacted with TMV coat protein in vitro. Hence, this study provides a strong evidence suporting that indole derivatives might be applied as new antiviral agents.

Welcome to talk about 59-48-3, If you have any questions, you can contact Wei, CL; Zhao, L; Sun, ZR; Hu, DY; Song, BA or send Email.. Recommanded Product: Indolin-2-one

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Quality Control of Indolin-2-one. In 2020.0 J AM CHEM SOC published article about AGOUTI-RELATED PROTEIN; STRUCTURAL BASIS; CYCLIC-PEPTIDES; DISCOVERY; DESIGN; POTENT; TARGETS; SPSB2; RECOGNITION; CYCLIZATION in [Gueret, Stephanie M.] Max Planck Inst Mol Physiol, AstraZeneca, Dept Chem Biol, Max Planck Inst Satellite Unit, D-44227 Dortmund, Germany; [Gueret, Stephanie M.; Plowright, Alleyn T.; Valeur, Eric; Lemurell, Malin] AstraZeneca, Med Chem Res & Early Dev Cardiovasc Renal & Metab, BioPharmaceut R&D, S-43150 Gothenburg, Sweden; [Thavam, Sasikala; Potowski, Marco; Waldmann, Herbert] Max Planck Inst Mol Physiol, Dept Chem Biol, D-44227 Dortmund, Germany; [Carbajo, Rodrigo J.] AstraZeneca, Chem Oncol R&D, Cambridge CB2 0SL, England; [Potowski, Marco; Waldmann, Herbert] TU Dortmund Univ, Fac Chem & Chem Biol, D-44227 Dortmund, Germany; [Larsson, Niklas] AstraZeneca, Discovery Biol, BioPharmaceut R&D, Discovery Sci, S-43150 Gothenburg, Sweden; [Dahl, Goran] AstraZeneca, Struct Biophys & Fragment Based Lead Generat, Discovery Sci, BioPharmaceut R&D, S-43150 Gothenburg, Sweden; [Dellsen, Anita] AstraZeneca, BioPharmaceut R&D, Discovery Sci, Mechanist Biol & Profiling, S-43150 Gothenburg, Sweden; [Grossmann, Tom N.] Vrije Univ Amsterdam, Dept Chem & Pharmaceut Sci, NL-1081 HV Amsterdam, Netherlands in 2020.0, Cited 69.0. The Name is Indolin-2-one. Through research, I have a further understanding and discovery of 59-48-3.

Quality Control of Indolin-2-one. In 2020.0 J AM CHEM SOC published article about AGOUTI-RELATED PROTEIN; STRUCTURAL BASIS; CYCLIC-PEPTIDES; DISCOVERY; DESIGN; POTENT; TARGETS; SPSB2; RECOGNITION; CYCLIZATION in [Gueret, Stephanie M.] Max Planck Inst Mol Physiol, AstraZeneca, Dept Chem Biol, Max Planck Inst Satellite Unit, D-44227 Dortmund, Germany; [Gueret, Stephanie M.; Plowright, Alleyn T.; Valeur, Eric; Lemurell, Malin] AstraZeneca, Med Chem Res & Early Dev Cardiovasc Renal & Metab, BioPharmaceut R&D, S-43150 Gothenburg, Sweden; [Thavam, Sasikala; Potowski, Marco; Waldmann, Herbert] Max Planck Inst Mol Physiol, Dept Chem Biol, D-44227 Dortmund, Germany; [Carbajo, Rodrigo J.] AstraZeneca, Chem Oncol R&D, Cambridge CB2 0SL, England; [Potowski, Marco; Waldmann, Herbert] TU Dortmund Univ, Fac Chem & Chem Biol, D-44227 Dortmund, Germany; [Larsson, Niklas] AstraZeneca, Discovery Biol, BioPharmaceut R&D, Discovery Sci, S-43150 Gothenburg, Sweden; [Dahl, Goran] AstraZeneca, Struct Biophys & Fragment Based Lead Generat, Discovery Sci, BioPharmaceut R&D, S-43150 Gothenburg, Sweden; [Dellsen, Anita] AstraZeneca, BioPharmaceut R&D, Discovery Sci, Mechanist Biol & Profiling, S-43150 Gothenburg, Sweden; [Grossmann, Tom N.] Vrije Univ Amsterdam, Dept Chem & Pharmaceut Sci, NL-1081 HV Amsterdam, Netherlands in 2020.0, Cited 69.0. The Name is Indolin-2-one. Through research, I have a further understanding and discovery of 59-48-3.

Hot loop protein segments have variable structure and conformation and contribute crucially to protein-protein interactions. We describe a new hot loop mimicking modality, termed PepNats, in which natural product (NP)-inspired structures are incorporated as conformation-determining and-restricting structural elements into macrocyclic hot loop-derived peptides. Macrocyclic PepNats representing hot loops of inducible nitric oxide synthase (iNOS) and human agouti-related protein (AGRP) were synthesized on solid support employing macro-cyclization by imine formation and subsequent stereoselective 1,3-dipolar cycloaddition as key steps. PepNats derived from the iNOS DINNN hot loop and the AGRP RFF hot spot sequence yielded novel and potent ligands of the SPRY domain-containing SOCS box protein 2 (SPSB2) that binds to iNOS, and selective ligands for AGRP-binding melanocortin (MC) receptors. NP-inspired fragment absolute configuration determines the conformation of the peptide part responsible for binding. These results demonstrate that combination of NP-inspired scaffolds with peptidic epitopes enables identification of novel hot loop mimics with conformationally constrained and biologically relevant structure.

Quality Control of Indolin-2-one. Welcome to talk about 59-48-3, If you have any questions, you can contact Gueret, SM; Thavam, S; Carbajo, RJ; Potowski, M; Larsson, N; Dahl, G; Dellsen, A; Grossmann, TN; Plowright, AT; Valeur, E; Lemurell, M; Waldmann, H or send Email.

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Authors Sydow, D; Schmiel, P; Mortier, J; Volkamer, A in AMER CHEMICAL SOC published article about MEDICINAL CHEMISTRY; PROTEIN-KINASES; DRUG DISCOVERY; DESIGN; POWERFUL; DATABASE; MUTANT; KLIFS in [Sydow, Dominique; Schmiel, Paula; Volkamer, Andrea] Charite, Inst Physiol, Silico Toxicol & Struct Bioinformat, D-10117 Berlin, Germany; [Mortier, Jeremie] Bayer AG, Digital Technol Computat Mol Design, D-13342 Berlin, Germany in 2020, Cited 49. Computed Properties of C8H7NO. The Name is Indolin-2-one. Through research, I have a further understanding and discovery of 59-48-3

Authors Sydow, D; Schmiel, P; Mortier, J; Volkamer, A in AMER CHEMICAL SOC published article about MEDICINAL CHEMISTRY; PROTEIN-KINASES; DRUG DISCOVERY; DESIGN; POWERFUL; DATABASE; MUTANT; KLIFS in [Sydow, Dominique; Schmiel, Paula; Volkamer, Andrea] Charite, Inst Physiol, Silico Toxicol & Struct Bioinformat, D-10117 Berlin, Germany; [Mortier, Jeremie] Bayer AG, Digital Technol Computat Mol Design, D-13342 Berlin, Germany in 2020, Cited 49. Computed Properties of C8H7NO. The Name is Indolin-2-one. Through research, I have a further understanding and discovery of 59-48-3

Protein kinases play a crucial role in many cell signaling processes, making them one of the most important families of drug targets. In this context, fragment-based drug design strategies have been successfully applied to develop novel kinase inhibitors. These strategies usually follow a knowledge-driven approach to optimize a focused set of fragments to a potent kinase inhibitor. Alternatively, KinFragLib explores and extends the chemical space of kinase inhibitors using data-driven fragmentation and recombination. The method builds on available structural kinome data from the KLIFS database for over 2500 kinase DFG-in structures cocrystallized with noncovalent kinase ligands. The computational fragmentation method splits the ligands into fragments with respect to their 3D proximity to six predefined functionally relevant subpocket centers. The resulting fragment library consists of six subpocket pools with over 7000 fragments, available at https://github.com/volkamerlab/KinFragLib. KinFragLib offers two main applications: on the one hand, in-depth analyses of the chemical space of known kinase inhibitors, subpocket characteristics, and connections, and on the other hand, subpocket-informed recombination of fragments to generate potential novel inhibitors. The latter showed that recombining only a subset of 624 representative fragments generated 6.7 million molecules. This combinatorial library contains, besides some known kinase inhibitors, more than 99% novel chemical matter compared to ChEMBL and 63% molecules compliant with Lipinski’s rule of five.

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Indoline – Wikipedia,
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