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Related Products of 49609-84-9. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 2-Chloronicotinoyl chloride, is researched, Molecular C6H3Cl2NO, CAS is 49609-84-9, about Development of novel 2-substituted acylaminoethylsulfonamide derivatives as fungicides against Botrytis cinerea. Author is Wang, Minlong; Du, Ying; Liu, Chunhui; Yang, Xinling; Qin, Peiwen; Qi, Zhiqiu; Ji, Mingshan; Li, Xinghai.

Botrytis cinerea is an economically important fungal pathogen with a host range of over 200 plant species. Unfortunately, gray mold disease caused by B. cinerea has not been effectively controlled because of its high risk for fungicide resistance development. As a part of our ongoing efforts to develop novel sulfonamides as agricultural fungicides against Botrytis cinerea, we introduced 2-aminoethanesulfonic acid (taurine) substructure, designed and synthesized a series of novel 2-substituted acylaminoethylsulfonamides. The newly synthesized sulfonamides were evaluated in vitro and in vivo for their fungicidal activity against Botrytis cinerea, of which the 2-ethoxyacetylamide derivative (V-A-12, (I) EC50 = 0.66 mg·L-1) exhibited the highest potency in vitro and superior fungicidal activity compared with procymidone (EC50 = 1.06 mg·L-1). In vivo bioassay indicated that compound I could be effective for the control of tomato gray mold. Moreover, the structure-activity relationship of these sulfonamides was analyzed by establishing a three-dimensional quant. structure-activity relationship (3D-QSAR) model, which can provide guidance for the development of sulfonamides as fungicides. Finally, the effeicacy of sulfonamide derivatives was again verified in the activity evaluation against resistant Botrytis cinerea strains. These results further enhance the development value of 2-substituted acylaminoethylsulfonamides to control the tomato gray mold.

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Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate

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Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 5-Chloropicolinaldehyde, is researched, Molecular C6H4ClNO, CAS is 31181-89-2, about Discovery of thiosemicarbazone derivatives as effective New Delhi metallo-β-lactamase-1 (NDM-1) inhibitors against NDM-1 producing clinical isolates.Recommanded Product: 5-Chloropicolinaldehyde.

In this study, structure-activity relationship based on thiosemicarbazone derivatives (E)-R1C(S)NHN=C(R2)(R3) (I) (R1 = phenylamino, Ph, cyclohexylamino, morpholin-4-yl, etc.; R2 = H, Me; R3 = Ph, pyridin-2-yl, 3,4,5-trimethoxyphenyl, etc.) was systematically characterized and their potential activities combined with meropenem (MEM) were evaluated. Compounds (I).HCl [R1 = piperazin-1-yl, R2 = H, R3 = 2-hydroxyphenyl (II); R1 = 4-methylpiperazin-1-yl, R2 = H, R3 = 2-hydroxyphenyl (III)] exhibited excellent activity against 10 NDM-pos. isolate clin. isolates in reversing MEM resistance. Further studies demonstrated that compounds II and III were uncompetitive NDM-1 inhibitors with Ki = 0.63 and 0.44μmol/L, resp. Mol. docking speculated that compounds II and III were most likely to bind in the allosteric pocket which would affect the catalytic effect of NDM-1 on the substrate meropenem. Toxicity evaluation experiment showed that no hemolysis activities were found even at concentrations of 1000 mg/mL against red blood cells. In vivo exptl. results showed that a combination of MEM and compound III was markedly effective in treating infections caused by NDM-1 pos. strain and prolonging the survival time of sepsis mice. The finding showed that compound III might be a promising lead in developing new inhibitor to treat NDM-1 producing superbug.

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Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate

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Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: (2R,3R,4S,5R,6R)-2-(Hydroxymethyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol, is researched, Molecular C7H14O6, CAS is 1824-94-8, about Site-Selective, Organoboron-Catalyzed Polymerization of Pyranosides: Access to Sugar-Derived Polyesters with Tunable Properties.Computed Properties of C7H14O6.

A new class of sugar-derived polyesters has been synthesized, using organoboron-catalyzed acylation to generate linear macromols. having pyranoside units enchained with a uniform 3,6-connectivity. The method provides access to well-defined polymers bearing pendant hydroxyl groups, from com. available diacid chlorides and readily accessible pyranoside feedstocks. Variation of the configuration of the pyranoside (α-manno, α-galacto, or β-galacto) and the identity of the aglycon has been conducted, enabling studies of structure-property relationships. Flexible, long-chain substituents at the anomeric position behave as intrinsic plasticizers, affording decreased glass-transition temperatures (Tg) relative to their short-chain counterparts. The Tg values of this family of polymers were found to vary from -3 to 164°C. Enzymic degradation and cytotoxicity studies in vitro suggested that the pyranoside-derived polyesters are slow-degrading, cytocompatible materials. After being subjected to urethane crosslinking, the polymers were studied by dynamic mech. anal. and tensile testing, revealing the impact of stereochem. and aglycon structure on the elastic and complex moduli, damping, and elongation at failure. The presence of hydrogen-bond-donating OH groups also conferred self-healing behavior to one of the linear polymers. This work demonstrates how organoboron-catalyzed, site-selective activation of OH groups can be employed to generate well-defined, carbohydrate-derived polymers.

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Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate

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In some applications, this compound(31181-89-2)Category: chiral-phosphine-ligands is unique.If you want to know more details about this compound, you can contact with the author or consult more relevant literature.

Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Article, Research Support, N.I.H., Extramural, Research Support, Non-U.S. Gov’t, Journal of the American Chemical Society called Total Synthesis of (-)-Maximiscin, Author is McClymont, Kyle S.; Wang, Feng-Yuan; Minakar, Amin; Baran, Phil S., which mentions a compound: 31181-89-2, SMILESS is O=CC1=NC=C(Cl)C=C1, Molecular C6H4ClNO, Category: chiral-phosphine-ligands.

A short, enantioselective synthesis of (-)-maximiscin (I), a structurally intriguing metabolite of mixed biosynthetic origin, is reported. A retrosynthetic anal. predicated on maximizing ideality and efficiency led to several unusual disconnections and tactics. Formation of the central highly oxidized pyridone ring through a convergent coupling at the end of the synthesis simplified the route considerably. The requisite building blocks could be prepared from feedstock materials (derived from shikimate and mesitylene). Strategies rooted in hidden symmetry recognition, C-H functionalization, and radical retrosynthesis played key roles in developing this concise route.

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Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate

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Most of the compounds have physiologically active properties, and their biological properties are often attributed to the heteroatoms contained in their molecules, and most of these heteroatoms also appear in cyclic structures. A Journal, Article, Angewandte Chemie, International Edition called Complementing Pyridine-2,6-bis(oxazoline) with Cyclometalated N-Heterocyclic Carbene for Asymmetric Ruthenium Catalysis, Author is Li, Long; Han, Feng; Nie, Xin; Hong, Yubiao; Ivlev, Sergei; Meggers, Eric, which mentions a compound: 31181-89-2, SMILESS is O=CC1=NC=C(Cl)C=C1, Molecular C6H4ClNO, Application of 31181-89-2.

A strategy for expanding the utility of chiral pyridine-2,6-bis(oxazoline) (pybox) ligands for asym. transition metal catalysis is introduced by adding a bidentate ligand to modulate the electronic properties and asym. induction. Specifically, a ruthenium(II) pybox fragment is combined with a cyclometalated N-heterocyclic carbene (NHC) ligand to generate catalysts for enantioselective transition metal nitrenoid chem., including ring contraction to chiral 2H-azirines (up to 97% ee with 2000 TON) and enantioselective C(sp3)-H aminations (up to 97% ee with 50 TON).

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Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate

Discovery of 49609-84-9

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Epoxy compounds usually have stronger nucleophilic ability, because the alkyl group on the oxygen atom makes the bond angle smaller, which makes the lone pair of electrons react more dissimilarly with the electron-deficient system. Compound: 2-Chloronicotinoyl chloride, is researched, Molecular C6H3Cl2NO, CAS is 49609-84-9, about Design, synthesis and biological evaluation of benzamide derivatives as novel NTCP inhibitors that induce apoptosis in HepG2 cells.Recommanded Product: 2-Chloronicotinoyl chloride.

Sodium taurocholate cotransport polypeptide (NTCP) plays an important role in the development of hepatitis and acts as a switch to allow hepatitis virus to enter hepatic cells. As the entry receptor protein of hepatitis virus, NTCP is also an effective target for the treatment of hepatocellular carcinoma. Herein, twenty-five benzamide analogs were synthesized based on the virtual screening design and their anti-proliferative activities against HepG2 cells were evaluated in vitro. Compound I was found to be promising, with an IC50 value of 2.8μM. The apoptosis induced by I was characterized by the regulation of markers, including an increase in Bax, cleaved-caspase 3, and cleaved-PARP proteins, and a decrease in Bcl-2 protein. Mol. docking and mol. dynamics (MD) simulation confirmed that compound I can bind tightly to NTCP. Western blot anal. also showed that NTCP was inhibited. Altogether, these results indicate that compound I acts as a novel NTCP inhibitor to induce apoptosis in HepG2 cells.

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Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate

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The chemical properties of alicyclic heterocycles are similar to those of the corresponding chain compounds. Compound: 5-Chloropicolinaldehyde, is researched, Molecular C6H4ClNO, CAS is 31181-89-2, about Mechanistic studies on covalent assemblies of metal-mediated hemi-aminal ethers, the main research direction is mechanistic reaction covalent assembly metal mediated hemi aminal ethers.Formula: C6H4ClNO.

The use of reversible covalent bonding in a four-component assembly incorporating chiral alcs. was recently reported to give a method for determining the enantiomeric excess of the alcs. via CD spectroscopy. Experiments that probe the mechanism of this assembly, which consists of 2-formylpyridine (2-PA), dipicolylamine (DPA), Zn(II) and alcs. to yield zinc complexes of tren-like ligands, are presented. The studies focus upon the mechanism of conversion of a hemi-aminal (1) to a hemi-aminal ether (3), thereby incorporating the fourth component. It was found that mol. sieves along with 3 to 4 equiv of alc. are required to drive the conversion of 1 to 3. Attempts to isolate an intermediate in this reaction via addition of strong Lewis acids led to the discovery of a five-membered ring pyridinium salt (5), but upon exposure to Zn(II) and alcs. gave different products to the assembly. This was interpreted to support the intermediacy of an iminium species. Kinetic studies reveal that the conversion of 1 to 3 is zero-order in alc. in large excesses of alc., supporting rate-determining formation of an intermediate prior to reaction with alc. Further, the magnitudes of the rate constants for interconversion of 1 and 3 are similar, supporting the notion that there are similar rate-determining steps (rds) for the forward and reverse reactions. Hammett plots show that the rds involves creation of a neg. charge (interpreted as the loss of pos. charge), supporting the notion that the decomplexation of Zn(II) from the assemblies to generate apo-forms of 1 and 3 is rate-determining The individual mechanistic conclusions are combined to create a qual. reaction coordinate diagram for the interconversion of 1 and 3.

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Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate

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Most of the natural products isolated at present are heterocyclic compounds, so heterocyclic compounds occupy an important position in the research of organic chemistry. A compound: 1824-94-8, is researched, SMILESS is O[C@H]([C@H]([C@H]([C@@H](CO)O1)O)O)[C@@H]1OC, Molecular C7H14O6Journal, European Journal of Organic Chemistry called Using DMF as Both a Catalyst and Cosolvent for the Regioselective Silylation of Polyols and Diols, Author is Lv, Jian; Luo, Tao; Zou, Dapeng; Dong, Hai, the main research direction is regioselective silylation glycoside polyol diol DMF catalyst cosolvent.Name: (2R,3R,4S,5R,6R)-2-(Hydroxymethyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol.

Highly regioselective silylation of primary hydroxyl groups of unprotected polyols and diols was obtained by the use of a mixed solvent of MeCN/DMF (10:1) in this study. DMF was discovered to be a good catalyst in this reaction, although the silylation using DMF as a solvent has been a common method for more than 40 years. The catalytic mechanism of DMF for the silylation was also proposed herein after intensive investigation of the reaction by NMR techniques. It has been demonstrated that a complex with a 1:1 ratio of the binding partners can be formed between TBSCl and DMF and has an association constant of 12/M, thus activating the silylation.

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Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate

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COA of Formula: C7H14O6. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: (2R,3R,4S,5R,6R)-2-(Hydroxymethyl)-6-methoxytetrahydro-2H-pyran-3,4,5-triol, is researched, Molecular C7H14O6, CAS is 1824-94-8, about Cytotoxicity assessment of Malva Sylvestris crude extract on melanoma and lymphoma cell lines. Author is Rayssan, Raghda; Shawkat, Muayad S..

This article focus on the anal. of M.sylvestris methanolic leaves extract by GC-MS and the evaluation of its cytotoxic effect on two types of human cancerous cell lines which are melanoma and lymphoma cell lines. GC-MS anal. showed 29 peaks, the prominent peak was 22.942 peak area (RT 27.01): trans-Phytol; Cyclohexanol,5-methyl-2-(1-methylethyl)-,[1S-(1.alpha.2.beta.5.beta.)]; Dihydrogeraniol; Menthol,trans-1,3,trans-1,4; (+)-Isomenthol . The extract showed cytotoxicity against both melanoma and lymphoma cell lines and the cytotoxic effect was increased with the increasing of extract concentration, the cytotoxicity of the extract at 200 μL was 68.65% and 76.53% for lymphoma and melanoma cell lines resp., for reference cell line the cytotoxicity of the extract was 7% at 200 μL. This implicit that M.sylvestris extract has min. side effect on normal cells thus may be considered safe and potential candidate as anticancer agent.

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Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate

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Heterocyclic compounds can be divided into two categories: alicyclic heterocycles and aromatic heterocycles. Compounds whose heterocycles in the molecular skeleton cannot reflect aromaticity are called alicyclic heterocyclic compounds. Compound: 31181-89-2, is researched, Molecular C6H4ClNO, about Tandem Strecker/C(sp3)-H amination reactions for the construction of cyanide-functionalized imidazo[1,5-a]pyridines with NH4SCN as a cyanating agent, the main research direction is azarene arylmethylamine ammonium thiocyanate iodine pentoxide promoter Strecker oxidation; cyano imidazopyridine preparation.Electric Literature of C6H4ClNO.

An I2O5 promoted tandem Strecker/C(sp3)-H amination reaction of pyridine-2-carboxaldehydes, benzylamines and NH4SCN was reported. This multicomponent reaction that allowed the single-step construction of biol. important cyano-functionalized imidazo[1,5-a]pyridines with mol. diversity was realized for the first time. Moreover, the use of safe and easy-to-handle NH4SCN as a surrogate cyanating agent made this protocol appealing for potential applications.

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Reference:
Phosphine ligand,
Chiral phosphine ligands in asymmetric synthesis. Molecular structure and absolute configuration of (1,5-cyclooctadiene)-(2S,3S)-2,3-bis(diphenylphosphino)butanerhodium(I) perchlorate tetrahydrofuran solvate