Some scientific research about (1S,2R)-1-Amino-2,3-dihydro-1H-inden-2-ol

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Synthesis of malarial plasmepsin inhibitors and prediction of binding modes by molecular dynamics simulations

A series of inhibitors of the malarial aspartic proteases Plm I and II have been synthesized with L-mannitol as precursor. These inhibitors are characterized by either a diacylhydrazine or a five-membered oxadiazole ring replacing backbone amide functionalities. Molecular dynamics simulations were applied in the design process. The computationally predicted Plm II K i values were generally in excellent agreement with the biological results. The diacylhydrazine was found to be superior over the oxadiazole as an amide bond replacement in the Plm I and II inhibitors studied. An extensive flexibility of the S2? pocket was captured by the simulations predicting the binding mode of the unsymmetrical inhibitors. Plm I and II inhibitors with single digit nanomolar Ki values devoid of inhibitory activity toward human Cat D were identified. One compound, lacking amide bonds, was found to be Plm IV selective and very potent, with a Ki value of 35 nM.

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Reference£º
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis¡ªI. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

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Related Products of 108-47-4, A catalyst don’t appear in the overall stoichiometry of the reaction it catalyzes, but it must appear in at least one of the elementary reactions in the mechanism for the catalyzed reaction. 108-47-4, Name is 2,4-Dimethylpyridine, molecular formula is C7H9N. In a Article£¬once mentioned of 108-47-4

Recent Advances in the Synthesis of Thiadiazoles

Thiadiazole moieties are present in many natural products and pharmaceutical compounds that possess a broad spectrum of biological activities, serving as antidepressant, anxiolytic, antimicrobial, antitubercular, antiinflammatory, antidiabetic, anticancer, antihypertensive, or antifungal drugs. Many excellent methods have been reported for accessing such frameworks. In this review, we summarize advances made within the past ten years in the synthesis of various types of thiadiazole. 1 Introduction 2 Synthesis of Thiadiazoles 2.1 Synthesis of 1,2,3-Thiadiazoles 2.1.1 Synthesis of 1,2,3-Thiadiazoles from Diazo/Azide Compounds 2.1.2 Synthesis of 1,2,3-Thiadiazoles from Sulfonyl Hydrazines or N-Tosylhydrazones 2.2 Synthesis of 1,2,4-Thiadiazoles 2.2.1 Synthesis of 1,2,4-Thiadiazoles from Thioamides or their Derivatives 2.2.2 Synthesis of 1,2,4-Thiadiazoles from Amidines or 2-Aminopyridines 2.3 Synthesis of 1,3,4-Thiadiazoles 2.4 Synthesis of 1,2,5-Thiadiazoles 3 Conclusion.

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Reference£º
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis¡ªI. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

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Reference of 108-47-4, The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature.108-47-4, Name is 2,4-Dimethylpyridine, molecular formula is C7H9N. In a Article£¬once mentioned of 108-47-4

Heat capacities of the six dimethylpyridines between the temperatures 10 K and 445 K and methyl-group rotational barriers in the solid state

Heat capacities and enthalpy increments between the temperatures T = 10 K and 445 K were determined for the six dimethylpyridines by adiabatic calorimetry. (Chemical Abstract registry numbers: 2,3-dimethylpyridine <583-61-9>; 2,4-dimethylpyridine <108-47-4>; 2,5-dimethylpyridine <589-93-5>; 2,6-dimethylpyridine <108-48-5>; 3,4-dimethylpyridine <583-58-4>; and 3,5-dimethylpyridine <591-22-0>.) Triple-point temperatures and enthalpies of fusion are reported for each material, and enthalpy increments and entropies relative to those of the crystals at T -> 0 were derived.Lambda-type phase transitions in the crystals were observed for 2,6-dimethylpyridine and 3,4-dimethylpyridine.A small step or “bump” was observed in the heat-capacity-against-temperature curves for 2,6-dimethylpyridine and 2,3-dimethylpyridine.Barriers to methyl-group rotation in the solid state are estimated for each compound and compared with literature values.

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Reference£º
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis¡ªI. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

Brief introduction of (1S,2R)-1-Amino-2,3-dihydro-1H-inden-2-ol

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Diversity-Oriented Synthesis of Diol-Based Peptidomimetics as Potential HIV Protease Inhibitors and Antitumor Agents

Peptidomimetic HIV protease inhibitors are an important class of drugs used in the treatment of AIDS. The synthesis of a new type of diol-based peptidomimetics is described. Our route is flexible, uses d-glucal as an inexpensive starting material, and makes minimal use of protection/deprotection cycles. Binding affinities from molecular docking simulations suggest that these compounds are potential inhibitors of HIV protease. Moreover, the antiproliferative activities of compounds 33 a, 35 a, and 35 b on HT-29, M21, and MCF7 cancer cell lines are in the low micromolar range. The results provide a platform that could facilitate the development of medically relevant asymmetrical diol-based peptidomimetics.

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Reference£º
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis¡ªI. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

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In homogeneous catalysis, the catalyst is in the same phase as the reactant. The number of collisions between reactants and catalyst is at a maximum.In a patent, 126456-43-7, name is (1S,2R)-1-Amino-2,3-dihydro-1H-inden-2-ol, introducing its new discovery. Application In Synthesis of (1S,2R)-1-Amino-2,3-dihydro-1H-inden-2-ol

Glucose, cellobiose, lactose and raffinose used as chiral stationary phases in HPLC

This paper presents the enantioseparation using glucose, cellobiose, lactose and raffinose as chiral selector bonded to silica gel via an arm in HPLC. Surprisingly, they also possess high enantioseparation selectivity, may be used in normal-phase and reversed-phase mode, and there is a big chiral discriminating complementary. This work indicates that oligosaccharides could soon become very attractive as a new class of chiral stationary phase for HPLC.

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Reference£º
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis¡ªI. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

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Catalytic asymmetric synthesis of a tertiary benzylic carbon center via phenol-directed alkene hydrogenation

An expeditious synthetic approach to chiral phenol 1, a key building block in the preparation of a series of drug candidates, is reported. The strategy includes a cost-effective and readily scalable route to cyclopentanone 3 from isobutyronitrile (10). The sterically hindered and enolizable ketone 3 was subsequently employed in a challenging Grignard addition mediated by LaCl 3?2LiCl. A novel preparation of the lanthanide reagent required for this transformation is described. To complete the process, a highly enantioselective hydrogenation step afforded the target (1). The importance of the phenol group to the success of this asymmetric transformation is discussed.

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Reference£º
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis¡ªI. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

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Electric Literature of 108-47-4, The reaction rate of a catalyzed reaction is faster than the reaction rate of the uncatalyzed reaction at the same temperature.108-47-4, Name is 2,4-Dimethylpyridine, molecular formula is C7H9N. In a Article£¬once mentioned of 108-47-4

Accurate and reproducible ion mobility measurements for chemical standard evaluation

Chemical standards are used to calibrate ion mobility spectrometers (IMS) for accurate and precise identification of target compounds. Research over the past 30 years has identified several positive and negative mode compounds that have been used as IMS standards. However, the IMS research community has not come to a consensus on any chemical compound(s) for use as a reference standard. Also, the reported K0 values for the same compound analyzed on several IMS systems can be inconsistent. In many cases, mobility has not been correlated with a mass identification of an ion. The primary goal of this work was to provide mass-identified mobility (K0) values for standards. The results of this work were mass-identified K0 values for positive and negative mode IMS chemical standards. The negative mode results of this study showed that TNT is a viable negative mode reference standard. New temperature-dependent K0 values were found by characterizing drift gas temperature and water content; several examples were found of temperature-dependent changes for the ion species of several standards. The overall recommendation of this study is that proposed IMS standards should have temperature-dependent K0 values quoted in the literature instead of using a single K0 value for a compound.

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Reference£º
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis¡ªI. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

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Synthetic Route of 108-47-4, Because a catalyst decreases the height of the energy barrier, its presence increases the reaction rates of both the forward and the reverse reactions by the same amount.108-47-4, Name is 2,4-Dimethylpyridine, molecular formula is C7H9N. In a article£¬once mentioned of 108-47-4

Co-ordination State of Copper(II) Ion in Cu(O2CMe)2-Pyridine Derivative-Diluent Mixtures; the Steric Effect of the Amine Ligand

Electronic spectra (360-800 nm) and electrolytic conductivities have been measured for the Cu(O2CMe)2-L-chlorobenzene systems (L = 2-chloro-, 2-methyl-, 2-ethyl-, 2,4-dimethyl-, or 2,6-dimethyl-pyridine) and Kth for the equilibrium 2<*> + 2L calculated.The results are compared with those obtained for non-alpha-substituted pyridines as ligands.A strong steric effect on the co-ordination equilibria as well as on the stereochemistry and solvation of the mononuclear complexes has been evidenced and discussed.

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Reference£º
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis¡ªI. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

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Related Products of 126456-43-7, Catalysts function by providing an alternate reaction mechanism that has a lower activation energy than would be found in the absence of the catalyst. In some cases, the catalyzed mechanism may include additional steps.In a article, 126456-43-7, molcular formula is C9H11NO, introducing its new discovery.

Hydrogen Bonding Networks in Chiral Thiourea Organocatalysts: Evidence on the Importance of the Aminoindanol Moiety

The crystal structures of four chiral thioureas, which are normally used as organocatalysts, are reported by the first time. Each compound is assembled in the crystal in a different way according to their chiral moiety in the thiourea skeleton, being dependent on the presence or the absence of the OH group in the aminoindanol or aminoindane moiety, respectively. Thiourea 1, which contains an aminoindane group, is assembled into a zigzag chain linked via N-H¡¤¡¤¡¤S hydrogen bonds. Thiourea 2, with an aminoindanol and a phenyl group, interacts mainly through O-H¡¤¡¤¡¤S and N-H¡¤¡¤¡¤S bonds in a very congested structure. Thiourea 3 disposes in a zigzag chain mainly through S¡¤¡¤¡¤O-H bonds and in further superposed zigzag chains through N-H¡¤¡¤¡¤S hydrogen bonds. The compound 4 is coordinated in a coplanar organization via O¡¤¡¤¡¤H-N interactions, forming very tight dimers, which are further arranged in chain of dimers through O-H¡¤¡¤¡¤S interactions. The general trends in the patterns of packing of these four compounds are compared to those commonly observed in the crystalline solids of other thiourea and urea structures. The different arrangements adopted by our chiral thioureas in the solid state are rationalized and discussed in terms of molecular structure, remarking the importance of the OH group in the aminoindanol scaffold in the determination of the preferred solid assembly. A comparison correlating the crystal structures, specifically the interactions in the crystal network and the configuration adopted by the thioureas, with the catalytic efficiency previously observed by the same structures, is included.

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Reference£º
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis¡ªI. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis

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Synthesis of chiral ligands with multiple stereogenic centers and their application in titanium(iv)-catalyzed enantioselective desymmetrization of meso-epoxides

New chiral ligands, (S,R,S)-1, (S,S,S)-1, (S,S,R)-1, (S,R,R)-1, (R,R,R)-1, (R,R,S)-1, (R,S,S)-1, (R,S,R)-1, (S,R,S)-2, (S,S)-3 and (R,S)-4 with diverse stereogenic centers arising from various diastereomeric combinations of aminoalcohol functionality with (R)- and (S)-1,1-binaphthol, were prepared and characterized. Catalytically active Ti complexes were generated insitu in the presence of water for the enantioselective ring-opening reaction of meso-stilbene oxide, cyclohexene oxide, cyclopentene oxide, and cis-butene oxide with different anilines as nucleophile. Significantly, catalysts Ti-(S,R,S)-1 and Ti-(R,S,S)-1 (15mol%) produced syn-beta-amino alcohols of meso-stilbene oxide with (1S,2S) and (1R,2R) configuration respectively in excellent yields (>98%) and enantioselectivities (ee value >99%) in 10h at room temperature. However, aliphatic/cyclic epoxides with aniline gave better performance with the catalyst Ti-(S,R,R)-1. The complex Ti-(S,R,S)-1 was successfully subjected to catalyst recovery and recyclability experiments over 6 cycles in the asymmetric ring-opening of meso-stilbene oxide with aniline with retention of performance.

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Reference£º
Chiral nitrogen ligands in late transition metal-catalysed asymmetric synthesis¡ªI. Addressing the problem of ligand lability in rhodium-catalysed hydrosilations,
Nitrogen-Containing Ligands for Asymmetric Homogeneous and Heterogeneous Catalysis