Month: January 2023

Self-Induced Nucleation During the Antisolvent Crystallization Process of Candesartan Cilexetil was written by Gao, Zhenguo;Wu, Yang;Wu, Yuanyi;Gong, Junbo;Bao, Ying;Wang, Jingkang;Rohani, Sohrab. And the article was included in Crystal Growth & Design in 2018.Application In Synthesis 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:

We report that the induction time goes through a maximum with increasing the agitation rate, while the majority of studies in the literature have noted a monotonic decrease in the nucleation rate with increasing the agitation rate. Candesartan cilexetil was studied as the model compound during an antisolvent crystallization process. A self-induced nucleation mechanism was proposed based on process tracking anal. by using the focused beam reflectance measurement, in situ Raman spectroscopy, and an off-line differential scanning calorimetry (DSC) instrument. The prenucleation clusters generated by the instantaneous change of local supersaturation during the addition of antisolvent were separated and characterized by powder X-ray diffraction and hot-stage microscopy. Results indicate the prenucleation clusters are an amorphous phase with a lower m.p. compared with the crystalline state. The prenucleation clusters acted as a nucleation inducer at low agitation level to promote the nucleation. On the contrary, the prenucleation clusters dissolved entirely at the high stirring rate before crystal nucleation occurred, which resulted in a maximum in the induction time with the change of stirring speed. In-situ Raman and DSC results combined with the single crystal structure information on acetone solvate show the evolution from prenucleation clusters to solvate crystals. This study helps to understand the nucleation mechanism during the antisolvent crystallization process, especially for the process scale-up with the observed inconsistencies in the nucleation rate with mixing rate. 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: 145040-37-5Application In Synthesis 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. 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. Many drugs contain an imidazole ring, such as certain antifungal drugs, the nitroimidazole series of antibiotics, and the sedative midazolam.Application In Synthesis 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

Making Sense of Enthalpy of Vaporization Trends for Ionic Liquids: New Experimental and Simulation Data Show a Simple Linear Relationship and Help Reconcile Previous Data was written by Verevkin, Sergey P.;Zaitsau, Dzmitry H.;Emelyanenko, Vladimir N.;Yermalayeu, Andrei V.;Schick, Christoph;Liu, Hongjun;Maginn, Edward J.;Bulut, Safak;Krossing, Ingo;Kalb, Roland. And the article was included in Journal of Physical Chemistry B in 2013.Category: imidazoles-derivatives This article mentions the following:

Vaporization enthalpy of an ionic liquid (IL) is a key phys. property for applications of ILs as thermofluids and also is useful in developing liquid state theories and validating intermol. potential functions used in mol. modeling of these liquids Compilation of the data for a homologous series of 1-alkyl-3-methylimidazolium bis(trifluoromethane-sulfonyl)imide ([C_nmim][NTf₂]) ILs has revealed an embarrassing disarray of literature results. New exptl. data, based on the concurring results from quartz crystal microbalance, thermogravimetric analyses, and mol. dynamics simulation have revealed a clear linear dependence of IL vaporization enthalpies on the chain length of the alkyl group on the cation. Ambiguity of the procedure for extrapolation of vaporization enthalpies to the reference temperature 298 K was found to be a major source of the discrepancies among previous data sets. Two simple methods for temperature adjustment of vaporization enthalpies have been suggested. Resulting vaporization enthalpies obey group additivity, although the values of the additivity parameters for ILs are different from those for mol. compounds In the experiment, the researchers used many compounds, for example, 3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide (cas: 404001-48-5Category: imidazoles-derivatives).

3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide (cas: 404001-48-5) 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 derivatives have antibacterial, antifungal and anticancer functionality. It interacts with DNA and also binds to protein and stops cell division.Category: imidazoles-derivatives

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Ion-pair solid-phase extraction of trace amounts of ionic liquid cations in fresh and seawater samples was written by Stepnowski, Piotr;Nichthauser, Joanna. And the article was included in Analytical Sciences in 2008.HPLC of Formula: 79917-89-8 This article mentions the following:

The usefulness of ion-pair reagents in selective solid reversed-phase extraction of one N-butyl-4-methylpyridinium and 4 short-chain alkylimidazolium ionic liquid cations from aqueous media was studied using various concentrations of alkylsulfonates with different alkyl chain lengths. Final recoveries of the 2 cations with the shortest alkyl residues were poorer than those of the other, more hydrophobic compounds The recovery values were little affected by the different concentrations of the reagents. In nearly all cases, the best recoveries were obtained with the 1-heptanesulfonate reagent. The anal. performance parameters included excellent linearity over 4 orders of magnitude, with limits of detection 0.01-0.06 ppm, and very good precision and accuracy. The method was used to extract ionic liquids from spiked seawater and freshwater samples. Recoveries and limits of detection were quite similar to those obtained with preconcd. standard solutions In the experiment, the researchers used many compounds, for example, 1-Methyl-3-propylimidazolium Chloride (cas: 79917-89-8HPLC of Formula: 79917-89-8).

1-Methyl-3-propylimidazolium Chloride (cas: 79917-89-8) 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 derivatives have antibacterial, antifungal and anticancer functionality. It interacts with DNA and also binds to protein and stops cell division.HPLC of Formula: 79917-89-8

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Synthesis, surface activity and aggregation behavior of Gemini imidazolium surfactants 1,3-bis(3-alkylimidazolium-1-yl) propane bromide was written by Ren, Chengcheng;Wang, Fang;Zhang, Zhiqing;Nie, Huihui;Li, Nan;Cui, Mei. And the article was included in Colloids and Surfaces, A: Physicochemical and Engineering Aspects in 2015.Reference of 21252-69-7 This article mentions the following:

A novel class of Gemini imidazolium surfactants 1,3-bis(3-alkylimidazolium-1-yl) propane bromide [C_n-3-C_ni.m.]Br₂ (n = 8, 10, 12) were synthesized and characterized by FT-IR, ¹H NMR and elemental anal. The surface activity and aggregation behavior of [C_n-3-C_ni.m.]Br₂ (n = 8, 10, 12) were investigated by surface tension, conductivity and steady fluorescence methods. A series of surface active parameters, including cmc, Γ_max, pC₂₀, cmc/C₂₀, A_min, γ_cmc and Π_cmc were obtained from surface tension measurement. It was indicated that Gemini imidazolium surfactants with the longer alkyl chain showed the higher surface activity. The thermodn. parameters of micellization process, namely, standard Gibbs free energy (ΔG^ο_m), enthalpy (ΔH^ο_m) and entropy (ΔS^ο_m) were derived from conductivity measurement at different temperatures The micropolarity and the mean aggregation number (N_agg) of micelles were evaluated from steady fluorescence spectra. The results revealed that the micropolarity and N_agg of micelles decreased with the increase of hydrocarbon chain length. In the experiment, the researchers used many compounds, for example, 1-Octyl-1H-imidazole (cas: 21252-69-7Reference of 21252-69-7).

1-Octyl-1H-imidazole (cas: 21252-69-7) 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.Reference of 21252-69-7

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Selective reductions of 1-(carbonyl)substituted 2-nitroimidazoles with alkali metal borohydrides and with borane-tetrahydrofuran was written by Threadgill, Michael D.;Webb, Paul. And the article was included in Synthetic Communications in 1990.Application In Synthesis of 2-(2-Nitro-1H-imidazol-1-yl)acetic acid This article mentions the following:

NaBH₄, LiBH₄, and BH₃.THF reduce carbonyl groups (esters, amide) in 1-substituted 2-nitroimidazoles I ( R = CO₂Me, CONH₂) in high yield without reduction of the nitroheterocycle to give I ( R = CH₂OH, CH₂NH₂) resp. In the experiment, the researchers used many compounds, for example, 2-(2-Nitro-1H-imidazol-1-yl)acetic acid (cas: 22813-32-7Application In Synthesis of 2-(2-Nitro-1H-imidazol-1-yl)acetic acid).

2-(2-Nitro-1H-imidazol-1-yl)acetic acid (cas: 22813-32-7) belongs to imidazole derivatives. Imidazole derivatives generally have good solubility in protic solvents. Simple imidazole derivatives, such as 1H-imidazole, 2-methyl-1H-imidazole, and 1,2-dimethylimidazole, have very high solubility in water. Imidazole derivatives have antibacterial, antifungal and anticancer functionality. It interacts with DNA and also binds to protein and stops cell division.Application In Synthesis of 2-(2-Nitro-1H-imidazol-1-yl)acetic acid

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Novel drug discovery platform for spinocerebellar ataxia, using fluorescence technology targeting β-III-spectrin was written by Rebbeck, Robyn T.;Andrick, Anna K.;Denha, Sarah A.;Svensson, Bengt;Guhathakurta, Piyali;Thomas, David D.;Hays, Thomas S.;Avery, Adam W.. And the article was included in Journal of Biological Chemistry 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:

Numerous diseases are linked to mutations in the actin-binding domains (ABDs) of conserved cytoskeletal proteins, including β-III-spectrin, α-actinin, filamin, and dystrophin. A β-III-spectrin ABD mutation (L253P) linked to spinocerebellar ataxia type 5 (SCA5) causes a dramatic increase in actin binding. Reducing actin binding of L253P is thus a potential therapeutic approach for SCA5 pathogenesis. Here, we validate a high-throughput screening (HTS) assay to discover potential disrupters of the interaction between the mutant β-III-spectrin ABD and actin in live cells. This assay monitors FRET between fluorescent proteins fused to the mutant ABD and the actin-binding peptide Lifeact, in HEK293-6E cells. Using a specific and high-affinity actin-binding tool compound, swinholide A, we demonstrate HTS compatibility with an excellent Zâ€?factor of 0.67 ± 0.03. Screening a library of 1280 pharmacol. active compounds in 1536-well plates to determine assay robustness, we demonstrate high reproducibility across plates and across days. We identified nine Hits that reduced FRET between Lifeact and ABD. Four of those Hits were found to reduce Lifeact cosedimentation with actin, thus establishing the potential of our assay for detection of actin-binding modulators. Concurrent to our primary FRET assay, we also developed a high-throughput compatible counter screen to remove undesirable FRET Hits. Using the FRET Hits, we show that our counter screen is sensitive to undesirable compounds that cause cell toxicity or ABD aggregation. Overall, our FRET-based HTS platform sets the stage to screen large compound libraries for modulators of β-III-spectrin, or disease-linked spectrin-related proteins, for therapeutic development. 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. 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 Imidazole also acts as a microtubule destabilizing agents and inhibits topoisomerase and Cytochrome P450 Family 26 Subfamily A Member 1 (CYP26A1) enzymes.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

Syntheses, protonation constants and antimicrobial activity of 2-substituted N-alkylimidazole derivatives was written by Kleyi, Phumelele;Walmsley, Ryan S.;Gundhla, Isaac Z.;Walmsley, Tara A.;Jauka, Tembisa I.;Dames, Joanna;Walker, Roderick B.;Torto, Nelson;Tshentu, Zenixole R.. And the article was included in South African Journal of Chemistry in 2012.Computed Properties of C11H20N2 This article mentions the following:

A series of N-alkylimidazole-2-carboxylic acid, N-alkylimidazole-2-carboxaldehyde and N-alkylimidazole-2-methanol derivatives [alkyl = benzyl, Me, Et, Pr, Bu, heptyl, octyl and decyl] have been synthesized and the protonation constants determined The antimicrobial properties of the compounds were tested against Gram-neg. (Escherichi coli), Gram-pos. (Staphylococcus aureus & Bacillus subtilis subsp. spizizenii) bacterial strains and yeast (C. albicans). Both the disk diffusion and broth microdilution methods for testing the antimicrobial activity showed that N-alkylation of imidazole with longer alkyl chains and the substitution with low pK_a group at 2-position resulted in enhanced antimicrobial activity. Particularly, the N-alkylimidazole-2-carboxylic acids exhibited the best antimicrobial activity due to the low pK_a of the carboxylic acid moiety. Generally, all the N-alkylimidazole derivatives were most active against the Gram-pos. bacteria [S. aureus (MIC = 5-160 μg mL^-1) and B. subtilis subsp. spizizenii (5-20 μg mL^-1)], with the latter more susceptible. All the compounds showed poor antimicrobial activity against both Gram-neg. (E. coli, MIC = 0.15 to >2500 μg mL^-1) bacteria and all the compounds were inactive against the yeast (Candida albicans). In the experiment, the researchers used many compounds, for example, 1-Octyl-1H-imidazole (cas: 21252-69-7Computed Properties of C11H20N2).

1-Octyl-1H-imidazole (cas: 21252-69-7) 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.Computed Properties of C11H20N2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Ionic Liquid Mixtures-An Analysis of Their Mutual Miscibility was written by Omar, Salama;Lemus, Jesus;Ruiz, Elia;Ferro, Victor R.;Ortega, Juan;Palomar, Jose. And the article was included in Journal of Physical Chemistry B in 2014.Name: 1-Methyl-3-propylimidazolium Chloride This article mentions the following:

The use of ionic liquid mixtures (IL-IL mixtures) is being investigated for fine solvent properties tuning of the IL-based systems. The scarce available studies, however, evidence a wide variety of mixing behaviors (from almost ideal to strongly nonideal), depending on both the structure of the IL components and the property considered. In fact, the adequate selection of the cations and anions involved in IL-IL mixtures may ensure the absence or presence of two immiscible liquid phases. In this work, a systematic computational study of the mixing behavior of IL-IL systems is developed by means of COSMO-RS methodol. Liquid-liquid equilibrium (LLE) and excess enthalpy (H^E) data of more than 200 binary IL-IL mixtures (including imidazolium-, pyridinium-, pyrrolidinium-, ammonium-, and phosphonium-based ILs) are calculated at different temperatures, comparing to literature data when available. The role of the interactions between unlike cations and anions on the mutual miscibility/immiscibility of IL-IL mixtures was analyzed. On the basis of proposed guidelines, a new class of immiscible IL-IL mixtures was reported, which only is formed by imidazolium-based compounds In the experiment, the researchers used many compounds, for example, 1-Methyl-3-propylimidazolium Chloride (cas: 79917-89-8Name: 1-Methyl-3-propylimidazolium Chloride).

1-Methyl-3-propylimidazolium Chloride (cas: 79917-89-8) 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 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).Name: 1-Methyl-3-propylimidazolium Chloride

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Synthesis of ionic liquids coated nanocrystalline zeolite materials and their application in the simultaneous determination of adenine, cytosine, guanine, and thymine was written by Kaur, Balwinder;Srivastava, Rajendra. And the article was included in Electrochimica Acta in 2014.Recommanded Product: 1-Methyl-1H-imidazol-3-ium chloride This article mentions the following:

Ionic liquids coated nanocrystalline zeolite based inorganic-organic hybrid materials were synthesized. Nanocrystalline ZSM-5 zeolite was prepared under hydrothermal condition in the presence of propyltriethoxysilane as an additive in the synthesis composition of conventional ZSM-5. Ionic liquids (methylimidazolium chloride and 1-butyl-3-methylimidazolium chloride) were coated on the surface of nanocrystalline ZSM-5 by the post synthesis method. For comparative study, ionic liquids coated conventional ZSM-5 based inorganic-organic hybrid materials were also prepared Ionic liquids coated nanocrystalline ZSM-5/ZSM-5 modified electrodes were constructed for the simultaneous determination of all four DNA bases such as adenine, cytosine, guanine, and thymine. Difference in the electro-catalytic activity of the modified electrode is explained with the help of textural properties, conductivity, and d. functional theory. The anal. performance of the proposed method was demonstrated in the simultaneous determination of all four DNA bases in calf thymus DNA sample. In the experiment, the researchers used many compounds, for example, 1-Methyl-1H-imidazol-3-ium chloride (cas: 35487-17-3Recommanded Product: 1-Methyl-1H-imidazol-3-ium chloride).

1-Methyl-1H-imidazol-3-ium chloride (cas: 35487-17-3) belongs to imidazole derivatives. Imidazole derivatives generally have good solubility in protic solvents. Simple imidazole derivatives, such as 1H-imidazole, 2-methyl-1H-imidazole, and 1,2-dimethylimidazole, have very high solubility in water. Imidazole derivatives have antibacterial, antifungal and anticancer functionality. It interacts with DNA and also binds to protein and stops cell division.Recommanded Product: 1-Methyl-1H-imidazol-3-ium chloride

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem