Month: January 2023

Non-nucleoside inhibitors of BasE, an adenylating enzyme in the siderophore biosynthetic pathway of the opportunistic pathogen Acinetobacter baumannii was written by Neres, Joao;Engelhart, Curtis A.;Drake, Eric J.;Wilson, Daniel J.;Fu, Peng;Boshoff, Helena I.;Barry, Clifton E.;Gulick, Andrew M.;Aldrich, Courtney C.. And the article was included in Journal of Medicinal Chemistry in 2013.Recommanded Product: 156635-90-4 This article mentions the following:

Siderophores are small-mol. iron chelators produced by bacteria and other microorganisms for survival under iron limiting conditions such as found in a mammalian host. Siderophore biosynthesis is essential for the virulence of many important Gram-neg. pathogens including Acinetobacter baumannii, Klebsiella pneumoniae, Pseudomonas aeruginosa, and Escherichia coli. We performed high-throughput screening against BasE, which is involved in siderophore biosynthesis in A. baumannii, and identified 6-phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid 15. Herein we report the synthesis, biochem., and microbiol. evaluation of a systematic series of analogs of the HTS hit 15. Analog 67 is the most potent analog with a K_D of 2 nM against BasE. Structural characterization of the inhibitors with BasE reveals that they bind in a unique orientation in the active site, occupying all three substrate binding sites, and thus can be considered as multisubstrate inhibitors. These results provide a foundation for future studies aimed at increasing both enzyme potency and antibacterial activity. In the experiment, the researchers used many compounds, for example, (4-((4-Methoxybenzyl)oxy)phenyl)boronic acid (cas: 156635-90-4Recommanded Product: 156635-90-4).

(4-((4-Methoxybenzyl)oxy)phenyl)boronic acid (cas: 156635-90-4) belongs to ethers. Ether is less polar than esters, alcohols or amines because of the oxygen atom that is unable to participate in hydrogen bonding due to the presence of bulky alkyl groups on both sides of the oxygen atom. The unique properties of ethers (i.e., that they are strongly polar, with nonbonding electron pairs but no hydroxyl group) enhance the formation and use of many reagents. For example, Grignard reagents cannot form unless an ether is present to share its lone pair of electrons with the magnesium atom. Complexation of the magnesium atom stabilizes the Grignard reagent and helps to keep it in solution.Recommanded Product: 156635-90-4

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Characteristics of Gases Emitted from Chicken Manure Wastewater and Potential Effects on Human Health was written by Fakkaew, Krailak;Kongkratoke, Sitang;Tantrakarnapa, Kraichat;Polprasert, Chongrak;Sudsandee, Suntorn. And the article was included in Environmental Science and Pollution Research in 2022.COA of Formula: C5H12O3 This article mentions the following:

Hazardous and odorous gas emissions from chicken manure wastewater are a public preoccupation. Odor composition measurements are crucial steps to provide appropriate air pollution control measures and design strategies to minimize the human health impact. In this study, chicken manure wastewater samples were extensively analyzed in a closed system by a portable handheld gas detector to characterize the odor and chem. compositions A portable detector was calibrated prior to sampling. The total number of 153 chem. compounds found in the chicken manure wastewater samples had various olfactory characteristics, including strong, pleasant, and odorless smells. Depending on the route of exposure, most of these chem. compounds could cause human health effects, such as irritation, burns, and severe symptoms including carcinogenic. In the experiment, the researchers used many compounds, for example, 2-(2-Methoxyethoxy)ethanol (cas: 111-77-3COA of Formula: C5H12O3).

2-(2-Methoxyethoxy)ethanol (cas: 111-77-3) belongs to ethers. Of all the functional groups, ethers are the least reactive ones. Ether bonds are quite stable towards bases, oxidizing agents and reducing agents. But on the other hand, ethers undergo cleavage by reaction with acids. Ethers are good solvents partly because they are not very reactive. Most ethers can be cleaved, however, by hydrobromic acid (HBr) to give alkyl bromides or by hydroiodic acid (HI) to give alkyl iodides.COA of Formula: C5H12O3

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Caged Ceramide 1-Phosphate Analogs: Synthesis and Properties was written by Lankalapalli, Ravi S.;Ouro, Alberto;Arana, Lide;Gomez-Munoz, Antonio;Bittman, Robert. And the article was included in Journal of Organic Chemistry in 2009.Electric Literature of C8H9NO3 This article mentions the following:

Sphingolipid phosphate analogs bearing 7-(diethylamino)coumarin I (R = R¹) and 4-bromo-5-hydroxy-2-nitrobenzhydryl I (R = R²) were synthesized. The ability of the “caged” ceramide 1-phosphate analogs to release the bioactive parent mol. upon irradiation at 400-500 nm was demonstrated by stimulation of macrophage cell proliferation. In the experiment, the researchers used many compounds, for example, 3-Methyl-4-nitroanisole (cas: 5367-32-8Electric Literature of C8H9NO3).

3-Methyl-4-nitroanisole (cas: 5367-32-8) belongs to ethers. Ether is less polar than esters, alcohols or amines because of the oxygen atom that is unable to participate in hydrogen bonding due to the presence of bulky alkyl groups on both sides of the oxygen atom. But ether is more polar than alkenes. At room temperature, ethers are pleasant-smelling colourless liquids. Relative to alcohols, ethers are generally less dense, are less soluble in water, and have lower boiling points. They are relatively unreactive, and as a result they are useful as solvents for fats, oils, waxes, perfumes, resins, dyes, gums, and hydrocarbons. Vapours of certain ethers are used as insecticides, miticides, and fumigants for soil.Electric Literature of C8H9NO3

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Phase Transition Behavior of MgMn₂O₄ Spinel Oxide Cathode during Magnesium Ion Insertion was written by Tuerxun, Feilure;Otani, Saeko;Yamamoto, Kentaro;Matsunaga, Toshiyuki;Imai, Hiroaki;Mandai, Toshihiko;Watanabe, Toshiki;Uchiyama, Tomoki;Kanamura, Kiyoshi;Uchimoto, Yoshiharu. And the article was included in Chemistry of Materials in 2021.Safety of 2,5,8,11-Tetraoxadodecane This article mentions the following:

The 3d transition metal oxides with a spinel structure are among the most promising cathode materials for magnesium batteries. In this study, we investigated the reaction mechanism of magnesium ion insertion for magnesium spinel oxides, MgMn₂O₄, by electrochem. measurements, X-ray absorption spectroscopy (XAS), and synchrotron X-ray diffraction (XRD) with Rietveld anal. Open-circuit-potential and XAS measurements showed that Mg²⁺ insertion into MgMn₂O₄ does not proceed via a simple two-phase coexistence reaction between the spinel and rock-salt phases. Synchrotron XRD measurements showed that Mg²⁺ insertion into MgMn₂O₄ involves crystal structural changes in three stages. In the early stage of the Mg²⁺ insertion process (0 < x < 0.2), Mg²⁺ is inserted into the spinel (MgMn₂O₄) phase and rock-salt (Mg_1.2Mn₂O₄) phases, which are included in the pristine samples, without significant volume changes. In the middle stage of the Mg²⁺ insertion process (0.2 < x < 0.4), Mg²⁺ is inserted into the Mg_1+αMn₂O₄ spinel phase and the Mg_2-βMn₂O₄ rock-salt phases with a large volume change. In the last stage of Mg²⁺ insertion process (0.4 < x < 0.56), Mg²⁺ insertion proceeds via a two-phase coexistence reaction between Mg_1.4Mn₂O₄ spinel and Mg_1.6Mn₂O₄ rock-salt phases without Mg content changes in either phase. The phase transition from the Mg_1+αMn₂O₄ spinel phase to the Mg_2-βMn₂O₄ rock-salt phase with a large volume change resulted in significant polarization during the Mg²⁺ insertion process. Suppressing the phase transition, accompanied by a large volume change, is important in designing a spinel oxide cathode with a high rate performance. In the experiment, the researchers used many compounds, for example, 2,5,8,11-Tetraoxadodecane (cas: 112-49-2Safety of 2,5,8,11-Tetraoxadodecane).

2,5,8,11-Tetraoxadodecane (cas: 112-49-2) belongs to ethers. Relative to alcohols, ethers are generally less dense, are less soluble in water, and have lower boiling points. They are relatively unreactive, and as a result they are useful as solvents for fats, oils, waxes, perfumes, resins, dyes, gums, and hydrocarbons. Vapours of certain ethers are used as insecticides, miticides, and fumigants for soil. The unique properties of ethers (i.e., that they are strongly polar, with nonbonding electron pairs but no hydroxyl group) enhance the formation and use of many reagents. For example, Grignard reagents cannot form unless an ether is present to share its lone pair of electrons with the magnesium atom. Complexation of the magnesium atom stabilizes the Grignard reagent and helps to keep it in solution.Safety of 2,5,8,11-Tetraoxadodecane

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Lignin Residue-Derived Carbon-Supported Nanoscale Iron Catalyst for the Selective Hydrogenation of Nitroarenes and Aromatic Aldehydes was written by Sarki, Naina;Kumar, Raju;Singh, Baint;Ray, Anjan;Naik, Ganesh;Natte, Kishore;Narani, Anand. And the article was included in ACS Omega in 2022.COA of Formula: C8H10O2 This article mentions the following:

Reported a green strategy for the facile synthesis of a lignin residue-derived carbon-supported magnetic iron (γ-Fe₂O₃/LRC-700) nanocatalyst. This active nanocatalyst exhibited excellent activity and selectivity for the hydrogenation of nitroarenes to anilines, including pharmaceuticals (e.g., flutamide and nimesulide). Challenging and reducible functionalities such as halogens (e.g., chloro, iodo and fluoro) and ketone, ester and amide groups were tolerated. Moreover, biomass-derived aldehyde (e.g., furfural) and other aromatic aldehydes were also effective for the hydrogenation process, often useful in biomedical sciences and other important areas. Before and after the reaction, the γ-Fe₂O₃/LRC-700 nanocatalyst were thoroughly characterized by X-ray diffraction (XRD), N₂ adsorption-desorption, XPS, high-resolution transmission electron microscopy (HR-TEM), Raman spectroscopy and thermogravimetric anal. (TGA). Addnl., the γ-Fe₂O₃/LRC-700 nanocatalyst was stable and easily separated using an external magnet and recycled up to five cycles with no substantial drop in the activity. Eventually, sustainable and green credentials for the hydrogenation reactions of 4-nitrobenzamide to 4-aminobenzamide and benzaldehyde to benzyl alc. were assessed with the help of the CHEM21 green metrics toolkit. In the experiment, the researchers used many compounds, for example, (4-Methoxyphenyl)methanol (cas: 105-13-5COA of Formula: C8H10O2).

(4-Methoxyphenyl)methanol (cas: 105-13-5) belongs to ethers. The oxygen atom in ethers are more electronegative than carbon, thus the hydrogens which are alpha to the ethers are more acidic than the simple hydrocarbons. The unique properties of ethers (i.e., that they are strongly polar, with nonbonding electron pairs but no hydroxyl group) enhance the formation and use of many reagents. For example, Grignard reagents cannot form unless an ether is present to share its lone pair of electrons with the magnesium atom. Complexation of the magnesium atom stabilizes the Grignard reagent and helps to keep it in solution.COA of Formula: C8H10O2

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Synthesis and biological activity of 1,3,4-thiadiazole compounds containing ferrocenyl moiety was written by Gou, Xiao-feng;Li, Yuan;Chen, Bang;Gao, Xue-xiang. And the article was included in Huaxue Shiji in 2013.SDS of cas: 1877-75-4 This article mentions the following:

A series of novel N-(ferrocenyl-methyl)-5-alkyl/aryl-1, 3, 4-thiadiazol-2-amines were synthesized by the condensation of ferrocenecarboxaldehyde with 2-amino-5-alkyl/aryl-1, 3, 4-thiadiazoles in presence of silica gel and then reduction by potassium borohydride. All products were characterized by IR, ¹HNMR, and ESI/MS. Further, all synthesized compounds were screened for their auxin activity. Most of the compounds showed potent activity. In the experiment, the researchers used many compounds, for example, 2-(4-Methoxyphenoxy)acetic acid (cas: 1877-75-4SDS of cas: 1877-75-4).

2-(4-Methoxyphenoxy)acetic acid (cas: 1877-75-4) belongs to ethers. Ether is less polar than esters, alcohols or amines because of the oxygen atom that is unable to participate in hydrogen bonding due to the presence of bulky alkyl groups on both sides of the oxygen atom. Autoxidation is the spontaneous oxidation of a compound in air. In the presence of oxygen, ethers slowly autoxidize to form hydroperoxides and dialkyl peroxides. If concentrated or heated, these peroxides may explode. To prevent such explosions, ethers should be obtained in small quantities, kept in tightly sealed containers, and used promptly.SDS of cas: 1877-75-4

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Synthesis and crystal structure of new bis(azacrown ethers) on the basis of 1,2-bis(2,2,2-trichloro-1-isocyanatoethoxy)benzene was written by Luk’yanenko, Nickolay G.;Pastushok, Viktor N.;Lyapunov, Alexander Yu.;Onys’ko, Pyotr P.;Sinitsa, Anatoliy D.;Povolotskiy, Mark I.;Zubatyuk, Roman I.;Shiskhin, Oleg V.. And the article was included in Makrogeterotsikly in 2009.Computed Properties of C10H21NO4 This article mentions the following:

Synthesis, properties and X-Ray anal. of the new bis(azacrown ethers), containing bridging urea fragments are reported here. These substances have in their mol. structure both centers of anion linking (proton donating NH groups) and centers of cation linking (crown ether units) and thus may be considered as potential ion-pair receptors. In the experiment, the researchers used many compounds, for example, 1,4,7,10-Tetraoxa-13-azacyclopentadecane (cas: 66943-05-3Computed Properties of C10H21NO4).

1,4,7,10-Tetraoxa-13-azacyclopentadecane (cas: 66943-05-3) belongs to ethers. Ether is less polar than esters, alcohols or amines because of the oxygen atom that is unable to participate in hydrogen bonding due to the presence of bulky alkyl groups on both sides of the oxygen atom. But ether is more polar than alkenes. Electron-deficient reagents are also stabilized by ethers. For example, borane (BH3) is a useful reagent for making alcohols. Pure borane exists as its dimer, diborane (B2H6), a toxic gas that is inconvenient and hazardous to use. Borane forms stable complexes with ethers, however, and it is often supplied and used as its liquid complex with tetrahydrofuran (THF).Computed Properties of C10H21NO4

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Selective oxidation of 5-hydroxymethylfurfural into 2,5-diformylfuran by TEMPO-assisted magnetic Fe₃O₄@SiO₂@mSiO₂-NH₂-Cu(II) catalytic system was written by Pan, Pan;Li, Mingming;Liu, Yuxin;Feng, Yisi;Li, Xinglong. And the article was included in Molecular Catalysis in 2022.Recommanded Product: 105-13-5 This article mentions the following:

2,5-Diformylfuran (DFF) is a multifunctional intermediate, which can be used in drugs, functional polymers, fluorescent materials and surfactants. In this paper, a TEMPO-assisted magnetic Fe₃O₄@SiO₂@mSiO₂-NH₂-Cu(II) catalytic system was developed for the selective oxidation of 5-hydroxymethylfurfural (HMF) to 2,5-diformylfuran. The structure of Fe₃O₄@SiO₂@mSiO₂-NH₂-Cu(II) was double-layer shell-core spherical structure with uniform ordered mesoporous on the surface, amino groups and Cu were evenly distributed in the outer mesoporous. The catalyst was characterized by FT-IR, TEM, EDS, SEM, x-ray diffraction, BET and VSM. The effects of reaction conditions were studied in detail. The conversion of HMF was 98.9% and the highest DFF yield was 92.4% under atm. oxygen in toluene solvent. The catalytic activity did not decrease significantly after 5 cycles. The catalytic system had good substrate adaptability for benzyl alcs. and aromatic alcs. with satisfactory yield of corresponding aldehydes (91.3-100%). A possible reaction mechanism was also proposed and found that bis(μ-hydroxy) double copper (II) may be the active reactant in oxidation reaction. The system provides a promising industrialized preparation method for DFF. In the experiment, the researchers used many compounds, for example, (4-Methoxyphenyl)methanol (cas: 105-13-5Recommanded Product: 105-13-5).

(4-Methoxyphenyl)methanol (cas: 105-13-5) belongs to ethers. Of all the functional groups, ethers are the least reactive ones. Ether bonds are quite stable towards bases, oxidizing agents and reducing agents. Ethers feature bent C–O–C linkages. In dimethyl ether, the bond angle is 111° and C–O distances are 141 pm. The barrier to rotation about the C–O bonds is low. The bonding of oxygen in ethers, alcohols, and water is similar. In the language of valence bond theory, the hybridization at oxygen is sp3.Recommanded Product: 105-13-5

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

A decarboxylative approach for regioselective hydroarylation of alkynes was written by Zhang, Jing;Shrestha, Ruja;Hartwig, John F.;Zhao, Pinjing. And the article was included in Nature Chemistry in 2016.Safety of 1,4-Dimethoxy-2-butyne This article mentions the following:

Regioselective activation of aromatic C-H bonds is a long-standing challenge for arene functionalization reactions such as the hydroarylation of alkynes. One possible solution is to employ a removable directing group that activates one of several aromatic C-H bonds. Here the authors report a new catalytic method for regioselective alkyne hydroarylation with benzoic acid derivatives during which the carboxylate functionality directs the alkyne to the ortho-C-H bond with elimination in situ to form a vinylarene product. The decarboxylation stage of this tandem sequence is envisioned to proceed with the assistance of an ortho-alkenyl moiety, which is formed by the initial alkyne coupling. This ruthenium-catalyzed decarboxylative alkyne hydroarylation eliminates the common need for pre-existing ortho-substitution on benzoic acids for substrate activation, proceeds under redox-neutral and relatively mild conditions, and tolerates a broad range of synthetically useful aromatic functionality. Thus, it significantly increases the synthetic utility of benzoic acids as easily accessible aromatic building blocks. In the experiment, the researchers used many compounds, for example, 1,4-Dimethoxy-2-butyne (cas: 16356-02-8Safety of 1,4-Dimethoxy-2-butyne).

1,4-Dimethoxy-2-butyne (cas: 16356-02-8) belongs to ethers. Ether is less polar than esters, alcohols or amines because of the oxygen atom that is unable to participate in hydrogen bonding due to the presence of bulky alkyl groups on both sides of the oxygen atom. At room temperature, ethers are pleasant-smelling colourless liquids. Relative to alcohols, ethers are generally less dense, are less soluble in water, and have lower boiling points. They are relatively unreactive, and as a result they are useful as solvents for fats, oils, waxes, perfumes, resins, dyes, gums, and hydrocarbons. Vapours of certain ethers are used as insecticides, miticides, and fumigants for soil.Safety of 1,4-Dimethoxy-2-butyne

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem

Phosphorus-nitrogen compounds: Part 61. The novel sodium complexes of monoferrocenylspirocyclotriphosphaza-crown ethers was written by Uzunalioglu, Nese;Asmafiliz, Nuran;Kilic, Zeynel;Hokelek, Tuncer. And the article was included in Inorganica Chimica Acta in 2022.Application of 66943-05-3 This article mentions the following:

Condensation reactions of hexachlorocyclotriphosphazene, N₃P₃Cl₆ (HCCP, trimer) and four different diamines (1–4) yielded tetrachloromono (5, 7 and 8) and bisferrocenyl (6) spirocyclotriphosphazenes. Reactions of 5, 7 and 8 with two equimolar amounts of 1-aza-15-crown-5 ether (L) produced new monoferrocenylspirocyclotriphosphazabis(crown ethers) (9, 10 and 12) in THF, resp. The only monoferrocenylspirocyclotriphosphazatris(crown ether) (13) was obtained from the reaction of 8 with three equimolar amounts of L. However, reactions of 7 and 8 with four equimolar amounts of L gave monoferrocenylspirocyclotriphosphaza-tetrakis(crown ethers) 11 and 14. In addition, the complexation reactions of ditopic phosphaza-crown ethers (9, 10 and 11) with NaClO₄ yielded novel mononuclear sandwich-type sodium complexes (9a, 10a and 11a). Tri- and tetranuclear complexes (13a and 14a) were obtained as a result of the complexation reactions of tri- and tetratopic phosphaza-crown ethers (13 and 14) with NaClO₄. Characterizations of phosphaza-crown ethers and complexes were performed using elemental anal., mass spectrometry, FTIR, and ¹H, ¹³C and ³¹P NMR techniques. Ditopic phosphazenes (9, 10 and 12) and complexes (9a, 10a and 11a) have a stereogenic P center. While the tritopic ligand (13) and complex (13a) have two stereogenic P centers. They are expected to be in racemic mixtures In addition, crystal structures of phosphazenes 6 and 9 were elucidated using x-ray crystallog. The absolute configurations of the enantiomers of 9 were determined as R and S. Furthermore, intermol. interactions in crystal structures of 6 and 9 were determined by Hirshfeld surface (HS) anal. In the experiment, the researchers used many compounds, for example, 1,4,7,10-Tetraoxa-13-azacyclopentadecane (cas: 66943-05-3Application of 66943-05-3).

1,4,7,10-Tetraoxa-13-azacyclopentadecane (cas: 66943-05-3) belongs to ethers. Ethers are good solvents partly because they are not very reactive. Most ethers can be cleaved, however, by hydrobromic acid (HBr) to give alkyl bromides or by hydroiodic acid (HI) to give alkyl iodides. Autoxidation is the spontaneous oxidation of a compound in air. In the presence of oxygen, ethers slowly autoxidize to form hydroperoxides and dialkyl peroxides. If concentrated or heated, these peroxides may explode. To prevent such explosions, ethers should be obtained in small quantities, kept in tightly sealed containers, and used promptly.Application of 66943-05-3

Referemce:
Ether – Wikipedia,
Ether | (C2H5)2O – PubChem