Month: February 2023

On the importance of time-resolved electrochemical evaluation in corrosion inhibitor-screening studies was written by Taheri, Peyman;Milosev, Ingrid;Meeusen, Mats;Kapun, Barbara;White, Paul;Kokalj, Anton;Mol, Arjan. And the article was included in npj Materials Degradation in 2020.Name: 1-Methylbenzimidazole This article mentions the following:

Efficiency of corrosion inhibitors in aqueous solutions depends on several interfacial parameters, which may vary over time. Therefore, reliable electrochem. techniques are demanded for screening the efficiency of corrosion inhibitors and monitoring their performance over time. Here, we evaluate corrosion inhibition efficiency of imidazole-based compounds on bare Cu surfaces and highlight the importance of electrochem. evaluation of the inhibitor over time, characterized by linear polarization resistance techniques as a reliable, instantaneous and non-invasive method for assessing intrinsic inhibitor performance in lab screening studies. In the experiment, the researchers used many compounds, for example, 1-Methylbenzimidazole (cas: 1632-83-3Name: 1-Methylbenzimidazole).

1-Methylbenzimidazole (cas: 1632-83-3) belongs to imidazole derivatives. Imidazole is a heterocyclic compound with a five-membered planar ring. It is amphoteric and highly polar. 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-Methylbenzimidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Silver(I)-mediated Hoogsteen-type base pairs was written by Megger, Dominik A.;Fonseca Guerra, Celia;Bickelhaupt, F. Matthias;Mueller, Jens. And the article was included in Journal of Inorganic Biochemistry in 2011.Recommanded Product: 4-Bromo-1H-benzoimidazole This article mentions the following:

Metal-mediated Hoogsteen-type base pairs are useful for the construction of DNA duplexes containing contiguous stretches of metal ions along the helical axis. To fine-tune the stability of such base pairs and the selectivity toward different metal ions, the availability of a selection of artificial nucleobases is highly desirable. In this study, we follow a theor. approach utilizing dispersion-corrected d. functional methods to evaluate a variety of artificial nucleobases as candidates for metal-mediated Hoogsteen-type base pairs. We focus on silver(I)-mediated Hoogsteen- and reverse Hoogsteen-type base pairs formed between 1-deaza- and 1,3-dideazapurine-derived nucleobases, resp., and cytosine. Apart from two coordinative bonds, these base pairs are stabilized by a hydrogen bond. We elucidate the impact of different substituents at the C6 position and the presence or absence of an endocyclic N3 nitrogen atom on the overall stability of a base pair and concomitantly on the strength of the hydrogen and coordinative bonds. All artificial base pairs investigated in this study are less stable than the exptl. established benchmark base pair C-Ag⁺-G. The base pair formed from 1,3-dideaza-6-methoxypurine is isoenergetic to the exptl. observed C-Ag⁺-C base pair. This makes 1,3-dideaza-6-methoxypurine a promising candidate for the use as an artificial nucleobase in DNA. In the experiment, the researchers used many compounds, for example, 4-Bromo-1H-benzoimidazole (cas: 83741-35-9Recommanded Product: 4-Bromo-1H-benzoimidazole).

4-Bromo-1H-benzoimidazole (cas: 83741-35-9) belongs to imidazole derivatives. Imidazole is a heterocyclic compound with a five-membered planar ring. It is amphoteric and highly polar. This ring system is present in important biological building blocks, such as histidine and the related hormone histamine.Recommanded Product: 4-Bromo-1H-benzoimidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Reactions of 2-carbonyl- and 2-hydroxy(or methoxy)alkyl-substituted benzimidazoles with arenes in the superacid CF3SO3H. NMR and DFT studies of dicationic electrophilic species was written by Ryabukhin, Dmitry S.;Turdakov, Alexey N.;Soldatova, Natalia S.;Kompanets, Mikhail O.;Ivanov, Alexander Yu.;Boyarskaya, Irina A.;Vasilyev, Aleksander V.. And the article was included in Beilstein Journal of Organic Chemistry in 2019.Application of 3012-80-4 This article mentions the following:

Reactions of 2-carbonyl- and 2-hydroxy(or methoxy)alkylbenzimidazoles with arenes in the Bronsted superacid TfOH resulted in the formation of the corresponding Friedel-Crafts reaction products, 2-diarylmethyl and 2-arylmethyl-substituted benzimidazoles, in yields up to 90%. The reaction intermediates, protonated species derived from starting benzimidazoles in TfOH, were thoroughly studied by means of NMR and DFT calculations; and plausible reaction mechanisms were discussed. In the experiment, the researchers used many compounds, for example, 1-Methyl-1H-benzo[d]imidazole-2-carbaldehyde (cas: 3012-80-4Application of 3012-80-4).

1-Methyl-1H-benzo[d]imidazole-2-carbaldehyde (cas: 3012-80-4) belongs to imidazole derivatives. Imidazole is a heterocyclic compound with a five-membered planar ring. It is amphoteric and highly polar. 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.Application of 3012-80-4

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Repurposed FDA-Approved drug sorafenib reduces replication of Venezuelan equine encephalitis virus and other alphaviruses was written by Lundberg, Lindsay;Brahms, Ashwini;Hooper, Idris;Carey, Brian;Lin, Shih-Chao;Dahal, Bibha;Narayanan, Aarthi;Kehn-Hall, Kylene. And the article was included in Antiviral Research in 2018.Recommanded Product: 145040-37-5 This article mentions the following:

The New World alphaviruses -Venezuelan, eastern, and western equine encephalitis viruses (VEEV, EEEV, and WEEV resp.) – cause a febrile disease that is often lethal in equines and children and leads to long-term neurol. sequelae in survivors. Endemic to the Americas, epizootic outbreaks of the three viruses occur sporadically in the continental United States. All three viruses aerosolize readily, replicate to high titers in cell culture, and have low infectious doses. Addnl., there are no FDA-approved vaccines or therapeutics for human use. To address the therapeutic gap, a high throughput assay utilizing a luciferase reporter virus, TC83-luc, was performed to screen a library of com. available, FDA-approved drugs for antiviral activity. From a group of twenty compounds found to significantly decrease luminescence, the carcinoma therapeutic sorafenib inhibited replication of VEEV-TC83 and TrD in vitro. Addnl., sorafenib inhibited replication of EEEV and two Old World alphaviruses, Sindbis virus and chikungunya virus, at 8 and 16h post-infection. Sorafenib caused no toxicity in Vero cells, and coupled with a low EC₅₀ value, yielded a selectivity index of >19. Mechanism of actions studies suggest that sorafenib inhibited viral translation through dephosphorylation of several key proteins, including eIF4E and p70S6K, leading to a reduction in viral protein production and overall viral replication. 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: 145040-37-5Recommanded Product: 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. 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 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.Recommanded Product: 145040-37-5

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Glycosine of Debus. II. Carbon salts of tetranitrobiimidazole and methylation of nitroimidazole was written by Lehmstedt, Kurt. And the article was included in Justus Liebigs Annalen der Chemie in 1933.Name: 1-Methyl-4-nitroimidazole This article mentions the following:

The Na salt of tetranitrobiimidazole (I) and BzCl or AcCl in C₅H₅N give only the pyridine salt of I, C₆H₂O₈.2C₅H₅N, yellow, decomposes 233°; the imidazole salt, C₆H₂O₈N₈.2C₃H₄N₂, orange, decomposes 325°. The Na salt of I and Me₂SO₄, shaken at 20-5° for 5 min., give 4-methyl-1,1 ‘,5,5′-tetranitro-2,2’-biimidazole (II), crystallizing with 2 mols. H₂O, yellow, decomposes 273-4°; Na salt, crystals with 4 mols. H₂O, light brown needles; Ag salt, yellow needles. Reduction of II gives the 1,1′-diamino derivative, the Na salt crystallizing with 4 mols. H₂O as blood-red needles; the free amine is a light brown, amorphous mass. The anhydrous Na salt of II and Me₂SO₄ give, on warming on the water bath, the 4,4’di-Me derivative (III) of I, light yellow, decomposes 239-40°. The 4-Et derivative (IV) of I, crystallizing with 2 mols. H₂O, light yellow, m. 259° (decomposition); the Na salt seps. with 2 mols. H₂O; the 4,4′-di-Et derivative, light yellow, decomposes 203°. I and CH₂N₂ in absolute Et₂O give III. IV and CH₂N₂ give the 4-Me derivative of IV, decomposes 226°. III (1.7 g.) and 4.5 cc. 5 N NaOH in 30 cc. Me₂CO, shaken 15 min., give 1.25 g. of the brick-red salt, C₈H₆O₆N₆Na₂.H₂O (V); the concentrated H₂SO₄ solution (yellow) gives on pouring into H₂O, a blue dye soluble in H₂SO₄ with a violet-red color. V dissolved in H₂O without warming and shaken with 2 N HCl, gives the indigo-blue dye C₈H₁₀O₄N₄ (VI). III and hot MeOH-MeONa give 92% of 1,1′-dimethoxy-4,4′-dimethyl-5,5′-dinitro-2,2′-biimidazole, m. 242° (decomposition), warming with dilute NaOH and acidification gives VI. In 1 preparation of II there was also formed 4-methyl-4′-methylene-1,1′, 5-trinitro-2,2′ – biimidazole-5′ – nitronic acid Me ester (VII), light red, decomposes 127°, crystals with 1 mol. H₂O. 4(5)-Nitroimidazole gives a yellow Na salt, 6.75 g. of which with Me₂SO₄ gives 3.85 g. of 4-nitro-and 0.925 g. of 5-nitro-1-methylimidazole. In the experiment, the researchers used many compounds, for example, 1-Methyl-4-nitroimidazole (cas: 3034-41-1Name: 1-Methyl-4-nitroimidazole).

1-Methyl-4-nitroimidazole (cas: 3034-41-1) 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.Name: 1-Methyl-4-nitroimidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Molecular dynamics simulation of imidazolium-based ionic liquids. II. Transport coefficients was written by Kowsari, M. H.;Alavi, Saman;Ashrafizaadeh, Mahmud;Najafi, Bijan. And the article was included in Journal of Chemical Physics in 2009.Recommanded Product: 1-Methyl-3-propylimidazolium Chloride This article mentions the following:

A systematic mol. dynamics study is performed to determine the dynamics and transport properties of 12 room-temperature ionic liquids family with 1-alkyl-3-methylimidazolium cation, [amim]⁺ (alkyl = Me, Et, Pr, and butyl), with counterions, PF₆^–, NO₃^–, and Cl^–. The goal of the work is to provide mol. level understanding of the transport coefficients of these liquids as guidance to experimentalists on choosing anion and cation pairs to match required properties of ionic liquid solvents. In the earlier paper (Part I), we characterized the dynamics of ionic liquids and provided a detailed comparison of the diffusion coefficients for each ion using the Einstein and Green-Kubo formulas. In this second part, other transport properties of imidazolium salts are calculated, in particular, the elec. conductivity is calculated from the Nernst-Einstein and Green-Kubo formulas. The viscosity is also determined from the Stokes-Einstein relation. The results of the calculated transport coefficients are consistent with the previous computational and exptl. studies of imidazolium salts. Generally, the simulations give elec. conductivity lower than experiment while the viscosity estimate is higher than experiment Within the same cation family, the ionic liquids with the NO₃^– counterion have the highest elec. conductivities: σ[NO₃]^– > σ[PF₆]^– > σ[Cl]^–. The [dmim][X] series, due to their sym. cationic structure and good packing and the [bmim][X] series due to higher inductive van der Waals interactions of [bmim]⁺, have the highest viscosities in these ionic liquid series. Our simulations show that the major factors determining the magnitude of the self-diffusion, elec. conductivity, and viscosity are the geometric shape, ion size, and the delocalization of the ionic charge in the anion. (c) 2009 American Institute of Physics. In the experiment, the researchers used many compounds, for example, 1-Methyl-3-propylimidazolium Chloride (cas: 79917-89-8Recommanded Product: 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).Recommanded Product: 1-Methyl-3-propylimidazolium Chloride

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Synthesis of ionic liquid based on polysiloxane with quaternized imidazolium moiety was written by Ichikawa, Tsukasa;Wako, Tsuyoshi;Nemoto, Nobukatsu. And the article was included in Polymer Bulletin (Heidelberg, Germany) in 2016.Computed Properties of C11H20N2 This article mentions the following:

Polysiloxane derivatives having quaternized imidazolium moieties with different length of alkyl chains ([HPImn]Cl) (n is the number of methylene group) were prepared via quaternization reaction of poly(3-chloropropylmethylsiloxane) (P1) with 1-alkylimidazole derivatives (Imns). [HPImn]Cls were obtained with high quaternization ratio from 95 to 100 mol%. The glass transition temperatures (T_gs) of a series of [HPImn]Cls were lowered with increase in the length of alkyl chain in the case of the number of methylene group from 1 to 6; however, those were a little raised when the number of methylene group was 7 and 8 plausibly owing to the effects of the van der Waals interactions among long alkyl chains. [HPImn]Cls were dissolved in high polar solvents such as methanol, DMSO, N,N-dimethylformamide and water. Also, the increase in the length of alkyl chains in [HPImn]Cls improved the solubility in low polar organic solvents such as chloroform and dichloromethane. 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. The pharmacophore of imidazole exists in bioactive compounds including amino acids, plant growth regulators and therapeutic agents.n increase of the alkyl chain length of the alcohols. Computed Properties of C11H20N2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Solvent effects on ¹³C and ¹⁵N shielding tensors of nitroimidazoles in the condensed phase: A sequential molecular dynamics/quantum mechanics study. [Erratum to document cited in CA142:031904] was written by Ramalho, Teodorico C.;da Cunha, Elaine F. F.;Bicca de Alencastro, Ricardo. And the article was included in Journal of Physics: Condensed Matter in 2005.SDS of cas: 3034-41-1 This article mentions the following:

The pioneering work of professors S. Canuto and K. Coutinho in proposing and applying the sequential quantum mech./mol. mechanics methodol. employed in this paper was not cited. The following references are added: [1] K. Coutinho, S. Canuto, Adv. Quantum Chem. 28, 89 (1997); [2] K. Coutinho, S. Canuto, J. Chem. Phys. 113, 9132 (2002), [3] K. Coutinho, S. Canuto, J. Chem. Phys. 112, 9874 (2000), and [4] K. Coutinho, S. Canuto, J. Mol. Struct. (Theochem) 632, 235 (2003). In the experiment, the researchers used many compounds, for example, 1-Methyl-4-nitroimidazole (cas: 3034-41-1SDS of cas: 3034-41-1).

1-Methyl-4-nitroimidazole (cas: 3034-41-1) 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 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).SDS of cas: 3034-41-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem