Month: October 2021

An article KinFragLib: Exploring the Kinase Inhibitor Space Using Subpocket-Focused Fragmentation and Recombination WOS:000608875100049 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. Quality Control 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.

Quality Control of Indolin-2-one. 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 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. Computed Properties of C8H7NO. 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.

Computed Properties of C8H7NO. 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

Authors Liu, CY; Li, ZY; Weng, ZY; Fang, XY; Zhao, F; Tang, KH; Chen, JY; Ma, WB in WILEY-V C H VERLAG GMBH published article about S BOND FORMATION; CATALYZED C-S; SULFONYL CHLORIDES; SULFENYLATION; SULFUR; ENAMINONES; FUNCTIONALIZATION; THIOPHENOLS; SULFIDES; INDOLES in [Liu, Changying; Li, Zheyu; Weng, Zhengyun; Fang, Xinyue; Zhao, Fei; Tang, Kehui; Ma, Wenbo] Chengdu Univ, Sichuan Ind Inst Antibiot, Antibiot Res & Reevaluat Key Lab Sichuan Prov, Huaguan Rd 168, Chengdu 610052, Peoples R China; [Chen, Jianyang] Chongqing Univ Arts & Sci, Coll Chem & Environm Engn, 319 Honghe Ave, Chongqing, Peoples R China in 2020.0, Cited 60.0. HPLC of Formula: C8H7NO. The Name is Indolin-2-one. Through research, I have a further understanding and discovery of 59-48-3

A synthetic method for the preparation of unsymmetrical 2-arylthioacetamides though direct C(sp(3))-H thiolation of arylacetamides with readily available substituted thiols, sulfenylchlorides and disulfides have been developed. Our strategy features a green reaction medium with ample substrate scope, affording the mono-thiolated aryl acetic acid derivatives in moderate to good yields in the presence of weak bases without any transition-metal catalyst.

About Indolin-2-one, If you have any questions, you can contact Liu, CY; Li, ZY; Weng, ZY; Fang, XY; Zhao, F; Tang, KH; Chen, JY; Ma, WB or concate me.. HPLC of Formula: C8H7NO

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

Product Details of 59-48-3. Hu, RM; Han, DY; Li, N; Huang, J; Feng, Y; Xu, DZ in [Hu, Ren-Ming; Han, Dong-Yang; Li, Ning; Huang, Jie; Feng, Yu; Xu, Da-Zhen] Nankai Univ, State Key Lab, Coll Chem, Natl Engn Res Ctr Pesticide Tianjin, Tianjin 300071, Peoples R China; [Hu, Ren-Ming; Han, Dong-Yang; Li, Ning; Huang, Jie; Feng, Yu; Xu, Da-Zhen] Nankai Univ, Inst Elementoorgan Chem, Coll Chem, Tianjin 300071, Peoples R China published Iron-Catalyzed Direct Oxidative Alkylation and Hydroxylation of Indolin-2-ones with Alkyl-Substituted N-Heteroarenes in 2020.0, Cited 61.0. The Name is Indolin-2-one. Through research, I have a further understanding and discovery of 59-48-3.

Presented herein is the first direct alkylation and hydroxylation reaction between two different C(sp(3))-H bonds, indolin-2-ones and alkyl-substituted N-heteroarenes, through an oxidative cross-coupling reaction. The reaction is catalyzed by a simple iron salt under mild ligand-free and base-free conditions. The reaction is environmentally benign, employs air (molecular oxygen) as the terminal oxidant and oxygen source for the synthesis of O-containing compounds, and produces only water as the byproduct.

Product Details of 59-48-3. About Indolin-2-one, If you have any questions, you can contact Hu, RM; Han, DY; Li, N; Huang, J; Feng, Y; Xu, DZ 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. Computed Properties of C8H7NO. 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

An article Harnessing Applied Potential: Selective beta-Hydrocarboxylation of Substituted Olefins WOS:000510531900023 published article about ELECTROINITIATED POLYMERIZATION; CARBON-DIOXIDE; VISIBLE-LIGHT; ELECTROCHEMICAL DICARBOXYLATION; STYRENE; CO2; ALKENES; ELECTROCARBOXYLATION; CARBOXYLATION; KINETICS 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 in 2020, Cited 31. The Name is Indolin-2-one. Through research, I have a further understanding and discovery of 59-48-3. Computed Properties of C8H7NO

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.

Computed Properties of C8H7NO. About Indolin-2-one, If you have any questions, you can contact Alkayal, A; Tabas, V; Montanaro, S; Wright, IA; Malkov, AV; Buckley, BR or concate me.

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

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. COA of Formula: C8H7NO

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.. COA of Formula: C8H7NO

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

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. 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.

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.

About Indolin-2-one, If you have any questions, you can contact Basak, S; Alvarez-Montoya, A; Winfrey, L; Melen, RL; Morrill, LC; Pulis, AP or concate me.. Application In Synthesis of Indolin-2-one

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

Product Details of 59-48-3. In 2020.0 ASIAN J ORG CHEM published article about S BOND FORMATION; CATALYZED C-S; SULFONYL CHLORIDES; SULFENYLATION; SULFUR; ENAMINONES; FUNCTIONALIZATION; THIOPHENOLS; SULFIDES; INDOLES in [Liu, Changying; Li, Zheyu; Weng, Zhengyun; Fang, Xinyue; Zhao, Fei; Tang, Kehui; Ma, Wenbo] Chengdu Univ, Sichuan Ind Inst Antibiot, Antibiot Res & Reevaluat Key Lab Sichuan Prov, Huaguan Rd 168, Chengdu 610052, Peoples R China; [Chen, Jianyang] Chongqing Univ Arts & Sci, Coll Chem & Environm Engn, 319 Honghe Ave, Chongqing, Peoples R China in 2020.0, Cited 60.0. The Name is Indolin-2-one. Through research, I have a further understanding and discovery of 59-48-3.

A synthetic method for the preparation of unsymmetrical 2-arylthioacetamides though direct C(sp(3))-H thiolation of arylacetamides with readily available substituted thiols, sulfenylchlorides and disulfides have been developed. Our strategy features a green reaction medium with ample substrate scope, affording the mono-thiolated aryl acetic acid derivatives in moderate to good yields in the presence of weak bases without any transition-metal catalyst.

About Indolin-2-one, If you have any questions, you can contact Liu, CY; Li, ZY; Weng, ZY; Fang, XY; Zhao, F; Tang, KH; Chen, JY; Ma, WB or concate me.. Product Details of 59-48-3

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

An article Macrocyclic Modalities Combining Peptide Epitopes and Natural Product Fragments WOS:000526392200048 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. COA of Formula: C8H7NO

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.

About Indolin-2-one, 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 concate me.. COA of Formula: C8H7NO

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