Tag: M.W=100-150

In 2020 J CHEM INF MODEL 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. The Name is Indolin-2-one. Through research, I have a further understanding and discovery of 59-48-3. Category: indolines-derivatives

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.

Category: indolines-derivatives. About Indolin-2-one, If you have any questions, you can contact Sydow, D; Schmiel, P; Mortier, J; Volkamer, A or concate me.

Reference:
Indoline – Wikipedia,
,Indoline | C8H9N – PubChem

An article Triazatruxene-Rhodamine-Based Ratiometric Fluorescent Chemosensor for the Sensitive, Rapid Detection of Trivalent Metal Ions: Aluminium (III), Iron (III) and Chromium (III) WOS:000519286200024 published article about SENSOR; FE3+; PROBE; CR3+; GLYCOCLUSTER; CATIONS; AL3+ in [Sadak, Ali Enis; Karakus, Erman] TUBITAK UME Sci & Technol Res Council Turkey, Organ Chem Lab, Natl Metrol Inst, Chem Grp, TR-41470 Kocaeli, Turkey in 2020.0, Cited 36.0. The Name is Indolin-2-one. Through research, I have a further understanding and discovery of 59-48-3. Product Details of 59-48-3

We investigated the ability of a novel triazatruxene-rhodamine-based (TAT-ROD) chemosensor to detect the trivalent metal ions aluminium (Al3+), iron (Fe3+) and chromium (Cr3+). Operating via the through-bond energy transfer (TBET) pathway, the chemosensor exhibited low detection limits of 23.0, 25.0 and 170.0 nM for Al3+, Fe3+ and Cr3+, respectively, along with high sensitivity and selectivity during a brief period (<15 s). The binding ratio of the chemosensor and trivalent metal ions achieved by Job's method was 3:1, and when we added ethylenediaminetetraacetic acid (EDTA), the sensing process reversed. Altogether, our TAT-ROD chemosensor marks the first triazatruxene-based colorimetric and fluorometric metal ion sensor reported in the literature. About Indolin-2-one, If you have any questions, you can contact Sadak, AE; Karakus, E or concate me.. Product Details of 59-48-3

Reference:
Indoline – Wikipedia,
,Indoline | C8H9N – PubChem

Becker, MR; Reid, JP; Rykaczewski, KA; Schindler, CS in [Reid, Jolene P.] Univ Utah, Dept Chem, Salt Lake City, UT 84112 USA; [Becker, Marc R.; Rykaczewski, Katie A.; Schindler, Corinna S.] Univ Michigan, Willard Henry Dow Lab, Dept Chem, Ann Arbor, MI 48109 USA published Models for Understanding Divergent Reactivity in Lewis Acid-Catalyzed Transformations of Carbonyls and Olefins in 2020.0, Cited 64.0. 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.

Carbonyl-ene, Prins, and carbonyl-olefin metathesis reactions represent powerful strategies for carbon-carbon bond formation relying on Lewis acid catalysts. Although common Lewis acids are able to provide efficient activation, the reactions often proceed with low regio- or chemoselectivity, while high selectivity frequently requires the use of well-designed metal-ligand complexes. Here we demonstrate that simple Lewis acids including Me2AlCl, FeCl3, and SnCl4 can show remarkable selectivity in differentiating between distinct transformations of carbonyl and olefin functional groups, resulting in either carbonyl-ene or carbonyl-olefin metathesis products. Specifically, we report the development of predictive multivariate linear regression models that rely on kinetic and thermodynamic information obtained in DFT calculations to gain important insights into the complex potential energy surfaces (PES) of these competing reaction paths. The presented results further our understanding of Lewis acid reactivity and suggest that even simple Lewis acids have the potential to function as highly selective catalysts.

About Indolin-2-one, If you have any questions, you can contact Becker, MR; Reid, JP; Rykaczewski, KA; Schindler, CS or concate me.. Quality Control of Indolin-2-one

Reference:
Indoline – Wikipedia,
,Indoline | C8H9N – PubChem

Recently I am researching about ASYMMETRIC-SYNTHESIS; ALPHA-BENZOYLOXYLATION; KINETIC RESOLUTION; CENTRAL CHIRALITY; BIARYLS; ISOMERIZATION; ATROPISOMERS; OLEFINATION; ALLENOATES; ALLENES, Saw an article supported by the University of Bologna. Published in AMER CHEMICAL SOC in WASHINGTON ,Authors: Crotti, S; Di Iorio, N; Artusi, C; Mazzanti, A; Righi, P; Bencivenni, G. The CAS is 59-48-3. Through research, I have a further understanding and discovery of Indolin-2-one. Computed Properties of C8H7NO

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.

Computed Properties of C8H7NO. About Indolin-2-one, If you have any questions, you can contact Crotti, S; Di Iorio, N; Artusi, C; Mazzanti, A; Righi, P; Bencivenni, G or concate me.

Reference:
Indoline – Wikipedia,
,Indoline | C8H9N – PubChem

Quality Control of Indolin-2-one. Authors Vaidya, GN; Nagpure, M; Kumar, D in AMER CHEMICAL SOC published article about in [Vaidya, Gargi Nikhil; Nagpure, Mithilesh; Kumar, Dinesh] Natl Inst Pharmaceut Educ & Res NIPER, Dept Med Chem, Gandhinagar 382355, Gujarat, India in 2021, Cited 72. The Name is Indolin-2-one. Through research, I have a further understanding and discovery of 59-48-3

A borrowing carbonate-enabled allylic cross-amination reactions employing allylic alcohol were discovered via merging acyl/allyl C-O bonds activation under nickel catalysis. The key component of this protocol is the ability of nickel [Ni(II)-Ni(0)] to execute a relay process via the nucleophilic trapping of the generated acyl Ni complex, resulting from the acyl C-O bond cleavage of dialkyl carbonates, followed by selective allylic C-O bond activations (allylic C-O vs alkyl C-O vs acyl C-O) to yield pi-allyINi-complexes. The finding truly represents Ni-catalyzed green allylic amination reactions under additive(s)-free conditions with excellent chemo- (N vs O), regio- (linear vs branched), and stereoselectivity (E vs Z) with a wide range of fundamentally challenging N-heterocycles and allylic alcohols. The reaction is scalable, does not require harmful reaction media and a globe box, and is successfully applied to the scale-up synthesis of pharmaceuticals (cinnarizine, flunarizine, and naftifine) with promising yields.

Quality Control of Indolin-2-one. About Indolin-2-one, If you have any questions, you can contact Vaidya, GN; Nagpure, M; Kumar, D or concate me.

Reference:
Indoline – Wikipedia,
,Indoline | C8H9N – PubChem

Recommanded Product: 59-48-3. Authors Vaidya, GN; Nagpure, M; Kumar, D in AMER CHEMICAL SOC published article about in [Vaidya, Gargi Nikhil; Nagpure, Mithilesh; Kumar, Dinesh] Natl Inst Pharmaceut Educ & Res NIPER, Dept Med Chem, Gandhinagar 382355, Gujarat, India in 2021, Cited 72. The Name is Indolin-2-one. Through research, I have a further understanding and discovery of 59-48-3

A borrowing carbonate-enabled allylic cross-amination reactions employing allylic alcohol were discovered via merging acyl/allyl C-O bonds activation under nickel catalysis. The key component of this protocol is the ability of nickel [Ni(II)-Ni(0)] to execute a relay process via the nucleophilic trapping of the generated acyl Ni complex, resulting from the acyl C-O bond cleavage of dialkyl carbonates, followed by selective allylic C-O bond activations (allylic C-O vs alkyl C-O vs acyl C-O) to yield pi-allyINi-complexes. The finding truly represents Ni-catalyzed green allylic amination reactions under additive(s)-free conditions with excellent chemo- (N vs O), regio- (linear vs branched), and stereoselectivity (E vs Z) with a wide range of fundamentally challenging N-heterocycles and allylic alcohols. The reaction is scalable, does not require harmful reaction media and a globe box, and is successfully applied to the scale-up synthesis of pharmaceuticals (cinnarizine, flunarizine, and naftifine) with promising yields.

About Indolin-2-one, If you have any questions, you can contact Vaidya, GN; Nagpure, M; Kumar, D or concate me.. Recommanded Product: 59-48-3

Reference:
Indoline – Wikipedia,
,Indoline | C8H9N – PubChem

SDS of cas: 59-48-3. I found the field of Pharmacology & Pharmacy; Chemistry; Computer Science very interesting. Saw the article KinFragLib: Exploring the Kinase Inhibitor Space Using Subpocket-Focused Fragmentation and Recombination published in 2020, Reprint Addresses Volkamer, A (corresponding author), Charite, Inst Physiol, Silico Toxicol & Struct Bioinformat, D-10117 Berlin, Germany.. The CAS is 59-48-3. Through research, I have a further understanding and discovery of Indolin-2-one.

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.

About Indolin-2-one, If you have any questions, you can contact Sydow, D; Schmiel, P; Mortier, J; Volkamer, A or concate me.. SDS of cas: 59-48-3

Reference:
Indoline – Wikipedia,
,Indoline | C8H9N – PubChem

An article Direct Access to Alkylideneoxindoles via Axially Enantioselective Knoevenagel Condensation WOS:000467320000011 published article about ASYMMETRIC-SYNTHESIS; ALPHA-BENZOYLOXYLATION; KINETIC RESOLUTION; CENTRAL CHIRALITY; BIARYLS; ISOMERIZATION; ATROPISOMERS; OLEFINATION; ALLENOATES; ALLENES 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 in 2019, Cited 65. Product Details of 59-48-3. 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.

About Indolin-2-one, If you have any questions, you can contact Crotti, S; Di Iorio, N; Artusi, C; Mazzanti, A; Righi, P; Bencivenni, G or concate me.. Product Details of 59-48-3

Reference:
Indoline – Wikipedia,
,Indoline | C8H9N – PubChem

Name: Indolin-2-one. I found the field of Chemistry very interesting. Saw the article Visible-light-induced ligand-free RuCl3 catalyzed C-H phosphorylation in water published in 2020.0, Reprint Addresses Liang, YM (corresponding author), Lanzhou Univ, State Key Lab Appl Organ Chem, Lanzhou 730000, Gansu, Peoples R China.. The CAS is 59-48-3. Through research, I have a further understanding and discovery of Indolin-2-one.

Visible-light-induced C-H phosphorylation of para-C-Ar-H and heteroarenes was realized using cost-effective RuCl3 as a catalyst. The reaction conditions are green and environmentally friendly, using water as a solvent at room temperature and without ligands. A broad range of highly functional organophosphorus compounds were obtained via a cross-dehydrogenation-coupling (CDC) reaction. In addition, we also proved that RuCl3 is a photocatalyst via its absorption spectrum and on/off light experiments.

About Indolin-2-one, If you have any questions, you can contact Gou, XY; Zhang, BS; Wang, XG; Shi, WY; Liu, HC; An, Y; Zhang, Z; Liang, YM or concate me.. Name: Indolin-2-one

Reference:
Indoline – Wikipedia,
,Indoline | C8H9N – PubChem

Recommanded Product: 59-48-3. Recently I am researching about MEDICINAL CHEMISTRY; PROTEIN-KINASES; DRUG DISCOVERY; DESIGN; POWERFUL; DATABASE; MUTANT; KLIFS, Saw an article supported by the Deutsche ForschungsgemeinschaftGerman Research Foundation (DFG) [VO 2353/1-1]; Bundesministerium fur Bildung und Forschung [031A262C]. Published in AMER CHEMICAL SOC in WASHINGTON ,Authors: Sydow, D; Schmiel, P; Mortier, J; Volkamer, A. The CAS is 59-48-3. Through research, I have a further understanding and discovery of Indolin-2-one

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.

Recommanded Product: 59-48-3. About Indolin-2-one, If you have any questions, you can contact Sydow, D; Schmiel, P; Mortier, J; Volkamer, A or concate me.

Reference:
Indoline – Wikipedia,
,Indoline | C8H9N – PubChem