Month: October 2021

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

Authors Feng, JX; Huang, Y in AMER CHEMICAL SOC 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. Application In Synthesis of Indolin-2-one. 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.

About Indolin-2-one, If you have any questions, you can contact Feng, JX; Huang, Y or concate me.. Application In Synthesis of Indolin-2-one

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

Recommanded Product: Indolin-2-one. Recently I am researching about SECONDARY AMIDES; N-ALKYLATION; CHEMOSELECTIVE REDUCTION; TERTIARY AMIDES; ACID; DERIVATIVES; CHEMISTRY; NITRILES; ESTERS; CARBON, Saw an article supported by the National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [21372258]; Fundamental Research Funds for the Central UniversitiesFundamental Research Funds for the Central Universities; Research Funds of Renmin University of China [16XNLQ04]. Published in WILEY-V C H VERLAG GMBH in WEINHEIM ,Authors: Pan, YX; Luo, ZL; Xu, X; Zhao, HQ; Han, JH; Xu, LJ; Fan, QH; Xiao, JL. The CAS is 59-48-3. Through research, I have a further understanding and discovery of Indolin-2-one

A ruthenium(II)-catalyzed deoxygenative transfer hydrogenation of amides to amines using HCO2H/NEt3 as the reducing agent is reported for the first time. The catalyst system consisting of [Ru(2-methylallyl)(2)(COD)], 1,1,1-tris(diphenylphosphinomethyl) ethane (triphos) and Bis(trifluoromethane sulfonimide) (HNTf2) performed well for deoxygenative reduction of various secondary and tertiary amides into the corresponding amines in high yields with excellent selectivities, and exhibits high tolerance toward functional groups including those that are reduction-sensitive. The choice of hydrogen source and acid co-catalyst is critical for catalysis. Mechanistic studies suggest that the reductive amination of the in situ generated alcohol and amine via borrowing hydrogen is the dominant pathway.

Recommanded Product: Indolin-2-one. About Indolin-2-one, If you have any questions, you can contact Pan, YX; Luo, ZL; Xu, X; Zhao, HQ; Han, JH; Xu, LJ; Fan, QH; Xiao, JL or concate me.

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

SDS of cas: 59-48-3. In 2019 ORG LETT 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. 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.

SDS of cas: 59-48-3. 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

An article Discovery of novel indole derivatives containing dithioacetal as potential antiviral agents for plants WOS:000536197700011 published article about TOBACCO-MOSAIC-VIRUS; LULICONAZOLE; BIOACTIVITY; MECHANISMS; DESIGN in [Wei, Chunle; Zhao, Lei; Sun, Zhongrong; Hu, Deyu; Song, Baoan] Guizhou Univ, Minist Educ, Key Lab Green Pesticide & Agr Bioengn, State Key Lab Breeding Base Green Pesticide & Agr, Guiyang 550025, Peoples R China in 2020.0, Cited 33.0. The Name is Indolin-2-one. Through research, I have a further understanding and discovery of 59-48-3. HPLC of Formula: C8H7NO

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.

HPLC of Formula: C8H7NO. About Indolin-2-one, If you have any questions, you can contact Wei, CL; Zhao, L; Sun, ZR; Hu, DY; Song, BA or concate me.

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

Computed Properties of C8H7NO. Sadak, AE; Karakus, E 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 published Triazatruxene-Rhodamine-Based Ratiometric Fluorescent Chemosensor for the Sensitive, Rapid Detection of Trivalent Metal Ions: Aluminium (III), Iron (III) and Chromium (III) 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.

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. Computed Properties of C8H7NO. About Indolin-2-one, If you have any questions, you can contact Sadak, AE; Karakus, E or concate me.

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

Recently I am researching 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, Saw an article supported by the National Natural Science Foundation of ChinaNational Natural Science Foundation of China (NSFC) [21871148, 21672109, 21472097]. Name: Indolin-2-one. Published in AMER CHEMICAL SOC in WASHINGTON ,Authors: Feng, JX; Huang, Y. The CAS is 59-48-3. Through research, I have a further understanding and discovery of Indolin-2-one

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.

Name: Indolin-2-one. About Indolin-2-one, If you have any questions, you can contact Feng, JX; Huang, Y or concate me.

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

Safety of Indolin-2-one. In 2020.0 ORG LETT published article about DIRECT ARYLATION; BITHIOPHENE COPOLYMERS; CONJUGATED POLYMER; HIGH-PERFORMANCE; MATERIALS DESIGN; CONVERSION in [Nitti, Andrea; Osw, Peshawa; Calcagno, Giuseppe; Pasini, Dario] Univ Pavia, Dept Chem, I-27100 Pavia, Italy; [Nitti, Andrea; Pasini, Dario] Univ Pavia, INSTM Res Unit, I-27100 Pavia, Italy; [Osw, Peshawa] Salahaddin Univ, Coll Sci, Dept Chem, Erbil 44001, Kurdistan, Iraq; [Botta, Chiara] CNR, Ist Studio Macromol ISMAC, I-20133 Milan, Italy; [Etkind, Samuel I.; Swager, Timothy M.] MIT, Dept Chem, Cambridge, MA 02139 USA; [Bianchi, Gabriele; Po, Riccardo] Ist Donegani SpA, Res Ctr Renewable Energies & Environm, I-28100 Novara, Italy in 2020.0, Cited 43.0. The Name is Indolin-2-one. Through research, I have a further understanding and discovery of 59-48-3.

We demonstrate the broad applicability of the annulation protocol combining, in one pot, a direct arylation and cross aldol condensation for the straightforward synthesis at gram-scale of pi-extended thiophene-based scaffolds. The regiospecific direct arylation drives the subsequent cross-aldol condensation proceed under the same basic conditions, and the overall protocol has broad applicability in the synthesis of extended aromatics wherein the thiophene ring is annulated with furans, pyridines, indoles, benzothiophenes, and benzofurans. These scaffolds can be further elaborated into pi-extended, highly fluorescent oligomers with a central deficient benzothiadiazole unit with up to nine aromatic rings through coupling reactions.

Safety of Indolin-2-one. About Indolin-2-one, If you have any questions, you can contact Nitti, A; Osw, P; Calcagno, G; Botta, C; Etkind, SI; Bianchi, G; Po, R; Swager, TM; Pasini, D or concate me.

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

Name: Indolin-2-one. I found the field of Chemistry very interesting. Saw the article Models for Understanding Divergent Reactivity in Lewis Acid-Catalyzed Transformations of Carbonyls and Olefins published in 2020.0, Reprint Addresses Reid, JP (corresponding author), Univ Utah, Dept Chem, Salt Lake City, UT 84112 USA.; Schindler, CS (corresponding author), Univ Michigan, Willard Henry Dow Lab, Dept Chem, Ann Arbor, MI 48109 USA.. The CAS is 59-48-3. Through research, I have a further understanding and discovery of Indolin-2-one.

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.. Name: Indolin-2-one

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

Recently I am researching about PLASMODIUM-FALCIPARUM M1; ACUTE NONLYMPHOCYTIC LEUKEMIA; MOLECULAR-DYNAMICS; CLINICAL-SIGNIFICANCE; EFFICIENT GENERATION; STRUCTURAL BASIS; AM1-BCC MODEL; CD13; BESTATIN; CANCER, Saw an article supported by the National Health and Medical Research CouncilNational Health and Medical Research Council of Australia [1063786]; Monash UniversityMonash University; Sir James McNeil Foundation; Cancer Therapeutics CRC, CTx. Formula: C8H7NO. Published in AMER CHEMICAL SOC in WASHINGTON ,Authors: Lee, J; Vinh, NB; Drinkwater, N; Yang, W; Sivaraman, KK; Schembri, LS; Gazdik, M; Grin, PM; Butler, GS; Overall, CM; Charman, SA; McGowan, S; Scammells, PJ. The CAS is 59-48-3. Through research, I have a further understanding and discovery of Indolin-2-one

Aminopeptidase N (APN/CD13) is a zinc-dependent M1 aminopeptidase that contributes to cancer progression by promoting angiogenesis, metastasis, and tumor invasion. We have previously identified hydroxamic acid-containing analogues that are potent inhibitors of the APN homologue from the malarial parasite Plasmodium falciparum M1 aminopeptidase (PfA-M1). Herein, we describe the rationale that underpins the repurposing of PfA-MI inhibitors as novel APN inhibitors. A series of novel hydroxamic acid analogues were developed using a structure-based design approach and evaluated their inhibition activities against APN. N-(2-(Hydroxyamino)-2-oxo-1-(3′,4′,5′-trifluoro-[1,1′-biphenyl]-4-yOethyl)-4(methylsulfonamido)benzamide (6ad) proved to be an extremely potent inhibitor of APN activity in vitro, selective against other zinc-dependent enzymes such as matrix metalloproteases, and possessed limited cytotoxicity against Ad293 cells and favorable physicochemical and metabolic stability properties. The combined results indicate that compound 6ad may be a useful lead for the development of anticancer agents.

Formula: C8H7NO. About Indolin-2-one, If you have any questions, you can contact Lee, J; Vinh, NB; Drinkwater, N; Yang, W; Sivaraman, KK; Schembri, LS; Gazdik, M; Grin, PM; Butler, GS; Overall, CM; Charman, SA; McGowan, S; Scammells, PJ or concate me.

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