Month: December 2022

Functionalized imidazolium wear-resistant ionic liquid ultrathin films for MEMS/NEMS applications was written by Mo, Yu-Fei;Huang, Fu-Chuan;Zhao, Fei. And the article was included in Surface and Interface Analysis in 2011.Application of 79917-89-8 This article mentions the following:

As a kind of new material, ionic liquids (ILs) are considered a new type of lubricant for micro/nanoelectromech. system (M/NEMS) due to their excellent thermal and elec. conductivity However, so far, only a few reports have investigated the friction and wear of thin films of these materials at the micro scale. Evaluating the nanoscale tribol. performance of ILs when applied as films of a few nanometers thickness on a substrate is a critical step for their application in M/NEMS devices. To achieve this purpose, IL thin films with four kinds of anions were synthesized and prepared on single-crystal silicon wafers by the dip-coating method. Film thickness was determined by the ellipsometric method. Their surface morphologies were observed by means of at. force microscopy (AFM). The nano and micro tribol. properties of the IL films were investigated by a friction force microscope (FFM)with a spherical probe and a UMT-2MT tribotester, resp. The corresponding morphologies of the wear tracks of the IL films were examined using a three-dimensional non-contact interferometric microscope. The impact of temperature on the adhesion behavior was studied, as well as the effect of sliding frequency and load on the friction coefficient, load bearing capacity and anti-wear durability. It was found that friction, adhesion and durability of IL films were strongly dependent on their anionic mol. structures, wettability and ambient environment. Copyright © 2010 John Wiley & Sons, Ltd. In the experiment, the researchers used many compounds, for example, 1-Methyl-3-propylimidazolium Chloride (cas: 79917-89-8Application of 79917-89-8).

1-Methyl-3-propylimidazolium Chloride (cas: 79917-89-8) belongs to imidazole derivatives. 1H-imidazole is an imidazole tautomer which has the migrating hydrogen at position 1. It is a conjugate base of an imidazolium cation. It is a conjugate acid of an imidazolide. It is a tautomer of a 4H-imidazole. Imidazole based anticancer drug find applications in cancer chemotherapy. It is used as buffer component for purification of the histidine tagged recombinant proteins in immobilized metal-affinity chromatography (IMAC).Application of 79917-89-8

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Ionic Liquid-Water Mixtures: Enhanced K_w for Efficient Cellulosic Biomass Conversion was written by Zhang, Yuetao;Du, Hongbo;Qian, Xianghong;Chen, Eugene Y.-X.. And the article was included in Energy & Fuels in 2010.Name: 1-ethyl-2,3-dimethylimidazolium chloride This article mentions the following:

Under relatively mild conditions (≤ 140°, 1 atm) and in the absence of added acid catalysts typically employed in biomass conversion, cellulose dissolved in certain ionic liquids (ILs) was converted into water-soluble reducing sugars in high total reducing sugar yield (up to 97%), or directly into the biomass platform chem. 5-hydroxymethyl furfural (HMF) in high conversion (up to 89%) when CrCl₂ is added. The combined study of exptl. methods and ab initio calculations demonstrates that the significantly increased K_w by ILs in the IL-water mixture is responsible for the catalysis seen in the current efficient biomass conversion system without added acid catalysts. The finding that the water in ILs under mild conditions can exhibit high K_w values (up to 3 orders of magnitude higher than the pure water under ambient conditions) is significant because such high K_w values are typically achievable by the water under harsh high-temperature or subcritical water conditions. In the experiment, the researchers used many compounds, for example, 1-ethyl-2,3-dimethylimidazolium chloride (cas: 92507-97-6Name: 1-ethyl-2,3-dimethylimidazolium chloride).

1-ethyl-2,3-dimethylimidazolium chloride (cas: 92507-97-6) belongs to imidazole derivatives. Among the different heterocyclic compounds, imidazole is better known due to its broad range of chemical and biological properties. Imidazole has become an important synthon in the development of new drugs. Imidazole has been usedin the lysis, wash and elution buffer for the purification of histidine tagged Sonic Hedgehog(shh-N) protein, in elution buffer in stepwise gradient for the purification of histidine tagged aldo keto reductases using nickel affinity chromatography, as a component of homogenization buffer for the purification of phagosomal compartments from dendritic cells.Name: 1-ethyl-2,3-dimethylimidazolium chloride

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Structure-Based Design, Synthesis, and Structure-Activity Relationship Studies of Novel Non-nucleoside Adenosine Deaminase Inhibitors was written by Terasaka, Tadashi;Kinoshita, Takayoshi;Kuno, Masako;Seki, Nobuo;Tanaka, Kohichiro;Nakanishi, Isao. And the article was included in Journal of Medicinal Chemistry in 2004.COA of Formula: C4H5N3O This article mentions the following:

Optimization efforts around the novel, highly potent non-nucleoside adenosine deaminase (ADA) inhibitor, 1-[(R)-1-hydroxy-4-(6-(3-(1-methylbenzimidazol-2-yl)propionylamino)indol-1-yl)-2-butyl]imidazole-4-carboxamide [I] (K_i = 7.7 nM), are described. Structure-based drug design utilizing the crystal structure of the I/ADA complex was performed in order to obtain structure-activity relationships for this type of compound rationally and effectively. To utilize the newly formed hydrophobic space (F2), replacement of the benzimidazole ring of I with a Pr chain [II, X = NHCOCH₂CH₂, R = Pr] or a Ph ring [II, X = NHCOCH₂CH₂, R = Ph] was tolerated in terms of binding activity, and the length of the methylene-spacer was shown to be optimal at two or three. Replacement of an amide with an ether as a linker was also well tolerated in terms of binding activity and moreover improved the oral absorption [I, XR = O(CH₂)_nPh, n = 3, 4]. Finally, transformation of indol-1-yl to indol-3-yl resulted in discovery of a novel highly potent and orally bioavailable ADA inhibitor, 1-[(R)-4-(5-(3-(4-chlorophenyl)propoxy)-1-methylindol-3-yl)-1-hydroxy-2-butyl]imidazole-4-carboxamide. In the experiment, the researchers used many compounds, for example, 1H-Imidazole-4-carboxamide (cas: 26832-08-6COA of Formula: C4H5N3O).

1H-Imidazole-4-carboxamide (cas: 26832-08-6) belongs to imidazole derivatives. Imidazole is the basic core of some natural products such as histidine, purine, histamine and DNA based structures, etc. Among the different heterocyclic compounds, imidazole is better known due to its broad range of chemical and biological properties. Imidazole also acts as a microtubule destabilizing agents and inhibits topoisomerase and Cytochrome P450 Family 26 Subfamily A Member 1 (CYP26A1) enzymes.COA of Formula: C4H5N3O

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Palladium-Catalyzed Ligand-Free C-N Coupling Reactions: Selective Diheteroarylation of Amines with 2-Halobenzimidazoles was written by Sang, Wei;Gavi, Ayao Jean;Yu, Bao-Yi;Cheng, Hua;Yuan, Ye;Wu, Yuan;Lommens, Petra;Chen, Cheng;Verpoort, Francis. And the article was included in Chemistry – An Asian Journal in 2020.Computed Properties of C8H8N2 This article mentions the following:

Considering the potential values of the di-substituted products I (R¹ = H, Me, Cl; R² = Me, Et, iBu, iPr, phenyl; R³ = 4-bromophenyl, 3-methylphenyl, 4-methoxyphenyl, etc.), the first selective diheteroarylation of amines R³NH₂ with 2-halobenzimidazoles II has been reported. Notably, this Pd-catalyzed transformation was realized under ligand-free conditions. Accordingly, numerous target products were efficiently produced from various aromatic or aliphatic amines R³NH₂ and 2-halobenzimidazoles II. It was worth noting that two representative products were further confirmed by X-ray crystallog. More significantly, this catalytic process could be applied to the synthesis and discovery of new bioactive compounds, which demonstrated the synthetic usefulness of this newly developed approach. In the experiment, the researchers used many compounds, for example, 1-Methylbenzimidazole (cas: 1632-83-3Computed Properties of C8H8N2).

1-Methylbenzimidazole (cas: 1632-83-3) belongs to imidazole derivatives. 1H-imidazole is an imidazole tautomer which has the migrating hydrogen at position 1. It is a conjugate base of an imidazolium cation. It is a conjugate acid of an imidazolide. It is a tautomer of a 4H-imidazole. Imidazole also acts as a microtubule destabilizing agents and inhibits topoisomerase and Cytochrome P450 Family 26 Subfamily A Member 1 (CYP26A1) enzymes.Computed Properties of C8H8N2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Annulation reactions of N-heterocycles to condensed pyridones with bridgehead nitrogen was written by Linke, Siegfried;Kurz, Juergen;Lipinski, Dietmar;Gau, Wolfgang. And the article was included in Liebigs Annalen der Chemie in 1980.Reference of 3012-80-4 This article mentions the following:

The Horner-Wittig reaction of aromatic and heteroaromatic aldehydes with (EtO)₂P(O)CH(CO₂R)CH₂CO₂R (R = Me, Et) gave R¹CH:C(CO₂R)CH₂CO₂R (R¹ = Ph, 4-R²C₆H₄, thienyl, furyl, etc; R² = Me, Cl, OMe, NO₂) or I (A = 2-pyridyl, 2-imidazolyl, 3-isoxazolyl, 2-quinolyl, 4-pyrimidinyl, etc; R³ = H, Me, Ph, PhCH₂), having the (E)-configuration. I were cyclized to the pyridones II. In the experiment, the researchers used many compounds, for example, 1-Methyl-1H-benzo[d]imidazole-2-carbaldehyde (cas: 3012-80-4Reference of 3012-80-4).

1-Methyl-1H-benzo[d]imidazole-2-carbaldehyde (cas: 3012-80-4) belongs to imidazole derivatives. Many natural products, especially alkaloids, contain the imidazole ring. These imidazoles share the 1,3-C3N2 ring but feature varied substituents. Many drugs contain an imidazole ring, such as certain antifungal drugs, the nitroimidazole series of antibiotics, and the sedative midazolam.Reference of 3012-80-4

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Predicting drug-metagenome interactions: Variation in the microbial β-glucuronidase level in the human gut metagenomes was written by Elmassry, Moamen M.;Kim, Sunghwan;Busby, Ben. And the article was included in PLoS One in 2021.Quality Control of 1-(((Cyclohexyloxy)carbonyl)oxy)ethyl 1-((2′-(2H-tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate This article mentions the following:

Characterizing the gut microbiota in terms of their capacity to interfere with drug metabolism is necessary to achieve drug efficacy and safety. Although examples of drug-microbiome interactions are well-documented, little has been reported about a computational pipeline for systematically identifying and characterizing bacterial enzymes that process particular classes of drugs. The goal of our study is to develop a computational approach that compiles drugs whose metabolism may be influenced by a particular class of microbial enzymes and that quantifies the variability in the collective level of those enzymes among individuals. The present paper describes this approach, with microbial β-glucuronidases as an example, which break down drug-glucuronide conjugates and reactivate the drugs or their metabolites. We identified 100 medications that may be metabolized by β-glucuronidases from the gut microbiome. These medications included morphine, estrogen, ibuprofen, midazolam, and their structural analogs. The anal. of metagenomic data available through the Sequence Read Archive (SRA) showed that the level of β-glucuronidase in the gut metagenomes was higher in males than in females, which provides a potential explanation for the sex-based differences in efficacy and toxicity for several drugs, reported in previous studies. Our anal. also showed that infant gut metagenomes at birth and 12 mo of age have higher levels of β-glucuronidase than the metagenomes of their mothers and the implication of this observed variability was discussed in the context of breastfeeding as well as infant hyperbilirubinemia. Overall, despite important limitations discussed in this paper, our anal. provided useful insights on the role of the human gut metagenome in the variability in drug response among individuals. Importantly, this approach exploits drug and metagenome data available in public databases as well as open-source cheminformatics and bioinformatics tools to predict drug-metagenome interactions. In the experiment, the researchers used many compounds, for example, 1-(((Cyclohexyloxy)carbonyl)oxy)ethyl 1-((2′-(2H-tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate (cas: 145040-37-5Quality Control of 1-(((Cyclohexyloxy)carbonyl)oxy)ethyl 1-((2′-(2H-tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate).

1-(((Cyclohexyloxy)carbonyl)oxy)ethyl 1-((2′-(2H-tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate (cas: 145040-37-5) belongs to imidazole derivatives. Many natural products, especially alkaloids, contain the imidazole ring. These imidazoles share the 1,3-C3N2 ring but feature varied substituents. Imidazole is incorporated into many important biological compounds. The most pervasive is the amino acid histidine, which has an imidazole side-chain. Histidine is present in many proteins and enzymes, e.g. by binding metal cofactors, as seen in hemoglobin.Quality Control of 1-(((Cyclohexyloxy)carbonyl)oxy)ethyl 1-((2′-(2H-tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Identify potent SARS-CoV-2 main protease inhibitors via accelerated free energy perturbation-based virtual screening of existing drugs was written by Li, Zhe;Li, Xin;Huang, Yi-You;Wu, Yaoxing;Liu, Runduo;Zhou, Lingli;Lin, Yuxi;Wu, Deyan;Zhang, Lei;Liu, Hao;Xu, Ximing;Yu, Kunqian;Zhang, Yuxia;Cui, Jun;Zhan, Chang-Guo;Wang, Xin;Luo, Hai-Bin. And the article was included in Proceedings of the National Academy of Sciences of the United States of America in 2020.Reference of 145040-37-5 This article mentions the following:

The COVID-19 pandemic caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) has become a global crisis. There is no therapeutic treatment specific for COVID-19. It is highly desirable to identify potential antiviral agents against SARS-CoV-2 from existing drugs available for other diseases and thus repurpose them for treatment of COVID-19. In general, a drug repurposing effort for treatment of a new disease, such as COVID-19, usually starts from a virtual screening of existing drugs, followed by exptl. validation, but the actual hit rate is generally rather low with traditional computational methods. Here we report a virtual screening approach with accelerated free energy perturbation-based absolute binding free energy (FEP-ABFE) predictions and its use in identifying drugs targeting SARS-CoV-2 main protease (Mpro). The accurate FEP-ABFE predictions were based on the use of a restraint energy distribution (RED) function, making the practical FEP-ABFE-based virtual screening of the existing drug library possible. As a result, out of 25 drugs predicted, 15 were confirmed as potent inhibitors of SARS-CoV-2 Mpro. The most potent one is dipyridamole (inhibitory constant Ki = 0.04 AμM) which has shown promising therapeutic effects in subsequently conducted clin. studies for treatment of patients with COVID-19. Addnl., hydroxychloroquine (Ki = 0.36 AμM) and chloroquine (Ki = 0.56 AμM) were also found to potently inhibit SARS-CoV-2 Mpro. We anticipate that the FEP-ABFE prediction-based virtual screening approach will be useful in many other drug repurposing or discovery efforts. In the experiment, the researchers used many compounds, for example, 1-(((Cyclohexyloxy)carbonyl)oxy)ethyl 1-((2′-(2H-tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate (cas: 145040-37-5Reference of 145040-37-5).

1-(((Cyclohexyloxy)carbonyl)oxy)ethyl 1-((2′-(2H-tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate (cas: 145040-37-5) belongs to imidazole derivatives. Among the different heterocyclic compounds, imidazole is better known due to its broad range of chemical and biological properties. Imidazole has become an important synthon in the development of new drugs. Imidazole is incorporated into many important biological compounds. The most pervasive is the amino acid histidine, which has an imidazole side-chain. Histidine is present in many proteins and enzymes, e.g. by binding metal cofactors, as seen in hemoglobin.Reference of 145040-37-5

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Aggregation of Double-Tailed Ionic Liquid 1,3-Dioctylimidazolium Bromide and the Interaction with Triblock Copolymer F127 was written by Ge, Lingling;Wang, Qi;Wei, Duo;Zhang, Xiaohong;Guo, Rong. And the article was included in Journal of Physical Chemistry B in 2013.Application In Synthesis of 1-Octyl-1H-imidazole This article mentions the following:

The aggregation of ionic liquid-based double-tailed surfactant, 1,3-dioctylimidazolium bromide ([Doim]-Br) and its interaction with pluronic copolymer F127 were systematically investigated by NMR , surface tension, dynamic light scattering (DLS), and isothermal titration calorimetry (ITC). It was found that the [Doim]Br aggregates are composed with the alkyl chains embedded in the micellar core and with the imidazolium rings parallel and staggered on the hydrophilic layer of micelles, which was generally different from the single-tailed IL [omim]-Br. The hydrogen bonding between protons attached to the imidazolium rings and anion Br^– was enhanced upon the aggregation of [Doim]-Br. The aggregation of F127 was promoted by addition of [Doim]-Br, which was more efficient than the single-tailed surfactant. At lower [Doim]Br content, [Doim]Br monomers embedded deeply into F127 micelle core. At higher [Doim]Br concentrations, the F127 micelles were disassocd., and then F127 chains penetrated into [Doim]Br micelle. In addition, the microstructure of F127/[Doim]Br complex can also be tuned by temperature In the experiment, the researchers used many compounds, for example, 1-Octyl-1H-imidazole (cas: 21252-69-7Application In Synthesis of 1-Octyl-1H-imidazole).

1-Octyl-1H-imidazole (cas: 21252-69-7) belongs to imidazole derivatives. Imidazole is the basic core of some natural products such as histidine, purine, histamine and DNA based structures, etc. Among the different heterocyclic compounds, imidazole is better known due to its broad range of chemical and biological properties. This ring system is present in important biological building blocks, such as histidine and the related hormone histamine.Application In Synthesis of 1-Octyl-1H-imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Ionic liquids coated Fe₃O₄ based inorganic-organic hybrid materials and their application in the simultaneous determination of DNA bases was written by Kaur, Balwinder;Srivastava, Rajendra. And the article was included in Colloids and Surfaces, B: Biointerfaces in 2014.Related Products of 35487-17-3 This article mentions the following:

Ionic liquids (ILs) coated Fe₃O₄ based inorganic-organic hybrid materials (represented as Fe₃O₄/ILs) were synthesized. ILs such as methylimidazolium chloride ([Hmim][Cl]) and 1-butyl-3-methylimidazolium chloride ([Bmim][Cl]) were investigated. For comparative study, quaternary ammonium salts such as choline chloride, cetyltrimethylammonium bromide [C₁₆H₃₃N(CH₃)₃][Br], and trimethylstearylammonium chloride [C₁₈H₃₇N(CH₃)₃][Cl] were also investigated. Materials were characterized by X-ray diffraction, nitrogen sorption, Fourier transform IR and scanning/transmission electron microscopy. Electrochem. sensors based on Fe₃O₄/ILs modified glassy carbon electrodes were fabricated for the simultaneous determination of all four DNA bases. The electrochem. behavior of DNA bases was investigated in detail. Various reaction parameters such as effect of scan rate, number of electrons involved in the rate determining step, electron transfer coefficient, surface adsorbed concentration, and the electrode reaction standard rate constant were investigated. Catalytic activity obtained at various Fe₃O₄/ILs modified electrodes was explained using DFT calculation The anal. performance of the sensor was demonstrated in the simultaneous determination of guanine, adenine, thymine, and cytosine in calf thymus DNA sample. In the experiment, the researchers used many compounds, for example, 1-Methyl-1H-imidazol-3-ium chloride (cas: 35487-17-3Related Products of 35487-17-3).

1-Methyl-1H-imidazol-3-ium chloride (cas: 35487-17-3) belongs to imidazole derivatives. The solubility of imidazoles in ethers is lower than that in alcohols and decreases with increasing chain length of the ethers . In contrast, the solubility of benzimidazoles in alcohols (C3–C6) is higher than in water and generally decreases with a This ring system is present in important biological building blocks, such as histidine and the related hormone histamine.Related Products of 35487-17-3

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Enantioselective Nickel-Catalyzed Michael Additions of 2-Acetylazaarenes to Nitroalkenes was written by Simpson, Alain J.;Lam, Hon Wai. And the article was included in Organic Letters in 2013.Electric Literature of C6H8N2O This article mentions the following:

2-Acetylazaarenes undergo catalytic enantioselective Michael additions to nitroalkenes in the presence of a chiral Ni(II)-bis(oxazoline) complex [e.g., 2-acetylpyridine + trans-β-nitrostyrene → (R)-4-nitro-3-phenyl-1-(pyridin-2-yl)-1-one]. The process is tolerant of a range of azines or azoles in the pronucleophilic component, resulting in Michael products in moderate to high enantioselectivities. In the experiment, the researchers used many compounds, for example, 1-(1-Methyl-1H-imidazol-2-yl)ethanone (cas: 85692-37-1Electric Literature of C6H8N2O).

1-(1-Methyl-1H-imidazol-2-yl)ethanone (cas: 85692-37-1) belongs to imidazole derivatives. Imidazole is a heterocyclic compound with a five-membered planar ring. It is amphoteric and highly polar. Imidazole also acts as a microtubule destabilizing agents and inhibits topoisomerase and Cytochrome P450 Family 26 Subfamily A Member 1 (CYP26A1) enzymes.Electric Literature of C6H8N2O

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem