Month: January 2023

In vitro evidence of potential interactions between CYP2C8 and candesartan acyl-β-D-glucuronide in the liver was written by Katsube, Yurie;Tsujimoto, Masayuki;Koide, Hiroyoshi;Hira, Daiki;Ikeda, Yoshito;Minegaki, Tetsuya;Morita, Shin-ya;Terada, Tomohiro;Nishiguchi, Kohshi. And the article was included in Drug Metabolism & Disposition in 2021.Related Products of 145040-37-5 This article mentions the following:

Growing evidence suggests that certain glucuronides function as potent inhibitors of CYP2C8. We previously reported the possibility of drug-drug interactions between candesartan cilexetil and paclitaxel. In this study, we evaluated the effects of candesartan N2-glucuronide and candesartan acyl-β-D-glucuronide on pathways associated with the elimination of paclitaxel, including those involving organic anion-transporting polypeptide (OATP) 1B1, OATP1B3, CYP2C8, and CYP3A4. UDP-glucuronosyltransferase (UGT) 1A10 and UGT2B7 were found to increase candesartan N2-glucuronide and candesartan acyl-β-D-glucuronide formation in a candesartan concentration-dependent manner. Addnl., the uptake of candesartan N2-glucuronide and candesartan acyl-β-D-glucuronide by cells stably expressing OATPs is a saturable process with K_m of 5.11 and 12.1μM for OATP1B1 and 28.8 and 15.7μM for OATP1B3, resp.; both glucuronides exhibit moderate inhibition of OATP1B1/1B3. Moreover, the hydroxylation of paclitaxel was evaluated using recombinant CYP3A4 and CYP3A5. Results show that candesartan, candesartan N2-glucuronide, and candesartan acyl-β-D-glucuronide inhibit the CYP2C8-mediated metabolism of paclitaxel, with candesartan acyl-β-D-glucuronide exhibiting the strongest inhibition (IC₅₀ is 18.9μM for candesartan acyl-β-D-glucuronide, 150μM for candesartan, and 166μM for candesartan N2-glucuronide). However, time-dependent inhibition of CYP2C8 by candesartan acyl-β-D-glucuronide was not observed Conversely, the IC₅₀ values of all the compounds are comparable for CYP3A4. Taken together, these data suggest that candesartan acyl β-D-glucuronide is actively transported by OATPs into hepatocytes, and drug-drug interactions may occur with coadministration of candesartan and CYP2C8 substrates, including paclitaxel, as a result of the inhibition of CYP2C8 function. 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: 145040-37-5Related Products 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. 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 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.Related Products of 145040-37-5

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In silico Drug Repurposing for COVID-19: Targeting SARS-CoV-2 Proteins through Docking and Consensus Ranking was written by Cavasotto, Claudio N.;Di Filippo, Juan I.. And the article was included in Molecular Informatics in 2021.HPLC of Formula: 145040-37-5 This article mentions the following:

In Dec. 2019, an infectious disease caused by the coronavirus SARS-CoV-2 appeared in Wuhan, China. This disease (COVID-19) spread rapidly worldwide, and on March 2020 was declared a pandemic by the World Health Organization (WHO). Today, over 21 million people have been infected, with more than 750.000 casualties. Today, no vaccine or antiviral drug is available. While the development of a vaccine might take at least a year, and for a novel drug, even longer; finding a new use to an old drug (drug repurposing) could be the most effective strategy. We present a docking-based screening using a quantum mech. scoring of a library built from approved drugs and compounds undergoing clin. trials, against three SARS-CoV-2 target proteins: the spike or S-protein, and two proteases, the main protease and the papain-like protease. The S-protein binds directly to the Angiotensin Converting Enzyme 2 receptor of the human host cell surface, while the two proteases process viral polyproteins. Following the anal. of our structure-based compound screening, we propose several structurally diverse compounds (either FDA-approved or in clin. trials) that could display antiviral activity against SARS-CoV-2. Clearly, these compounds should be further evaluated in exptl. assays and clin. trials to confirm their actual activity against the disease. We hope that these findings may contribute to the rational drug design against COVID-19. 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: 145040-37-5HPLC of Formula: 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. Many natural products, especially alkaloids, contain the imidazole ring. These imidazoles share the 1,3-C3N2 ring but feature varied substituents. 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).HPLC of Formula: 145040-37-5

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Copper-mediated oxidative cyclization of heterocyclically substituted aldimines was written by Pufky-Heinrich, Daniela;Ciesielski, Michael;Gharnati, Loubna;Walter, Olaf;Doering, Manfred. And the article was included in Heterocycles in 2010.Product Details of 85692-37-1 This article mentions the following:

Cu-mediated cascade reactions were performed with heteroaryl aldimines. These oxidative heterocyclizations include sequences of oxidations and cycloadditions or nucleophilic additions, which take place in the coordination sphere of Cu ions. When 2 heteroaryl aldimines were reacted in the presence of Cu(II) under air, pyridines were produced. In one case, a 5,8-di-1H-imidazol-2-yl-3,7-dipyridin-2-yl-1,4-diazatricyclo[3.2.1.0^2,7]oct-3-ene was also formed. The basic structure of this new tetracyclic compound contains 5 new chiral C atoms. Its cage-like structure was revealed by x-ray crystallog. [orthorhombic, space group Pna(2), a 20.2315(15), b 10.0265(7), c 11.2033(8) Å, V 2272.6(3) ų, Z 4]. The synthesis of 2H-pyrroles by Cu-assisted conversions of the aldimines with acetylenedicarboxylate or quinones was also described. In the experiment, the researchers used many compounds, for example, 1-(1-Methyl-1H-imidazol-2-yl)ethanone (cas: 85692-37-1Product Details of 85692-37-1).

1-(1-Methyl-1H-imidazol-2-yl)ethanone (cas: 85692-37-1) 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 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.Product Details of 85692-37-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Graphene oxide supported chlorostannate (IV) ionic liquid: Bronsted-Lewis acidic combined catalyst for highly efficient Baeyer-Villiger oxidation in water was written by Xing, Chen;Tan, Rong;Hao, Pengbo;Gao, Mengqiao;Yin, Donghong;Yin, Dulin. And the article was included in Molecular Catalysis in 2017.Related Products of 79917-89-8 This article mentions the following:

Lewis acidic chlorostannate(IV)-based imidazolium ionic liquid ([PmimCl][SnCl₄]_x IL) was post-grafted on graphene oxide (GO) nanosheets through a silylation process. Characterization results suggested the coexistence of intrinsic carboxylic acid on GO edges and the post-grafted Lewis acidic IL on GO planes in the catalysts. The Bronsted-Lewis acidic combined catalysts of GO/[PmimCl][SnCl₄] were highly efficient and universal in Baeyer-Villiger (BV) oxidation in water due to the high water-dispersion, diminished diffusion limitation, enriched surface acid sites, as well as the concerted effects between Bronsted and Lewis acid sites. Only 3.0 mol% of GO/[PmimCl][SnCl₄]_x (x = 0.5, 1.0, 1.5) was sufficient for affording almost quant. yield of a wide range of lactones in water without the need of any organic solvents and cocatalysts, whereas Lewis acidic IL of [PmimCl][SnCl₄]_1.0 itself was far less efficient. More importantly, the heterogeneous catalysts were perfectly stable and could be reused several times without significant loss of activity and selectivity. In the experiment, the researchers used many compounds, for example, 1-Methyl-3-propylimidazolium Chloride (cas: 79917-89-8Related Products of 79917-89-8).

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 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.Related Products of 79917-89-8

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Unusual synthesis of stable pyridinium dinitromethylides was written by Andreasson, Eva;Newton, Christopher G.;Ollis, W. David;Rees, Charles W.;Smith, David I.;Wright, Derek E.. And the article was included in Journal of the Chemical Society, Chemical Communications in 1983.Formula: C9H8N2O2 This article mentions the following:

Nitration of imidazo[1,2-a]pyridines with concentrated HNO₃ and H₂SO₄ at room temperature gave pyridinium dinitromethylides in 51-85% yield; these compounds have orthogonal pyridinium and dinitromethylide groups. E.g., treatment of ester I with fuming HNO₃-concentrated H₂SO₄ at room temperature gave 61% ylide II. Reaction mechanisms involving sequential nitration and ring cleavage are discussed. In the experiment, the researchers used many compounds, for example, Methyl imidazo[1,2-a]pyridine-5-carboxylate (cas: 88047-55-6Formula: C9H8N2O2).

Methyl imidazo[1,2-a]pyridine-5-carboxylate (cas: 88047-55-6) 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.Formula: C9H8N2O2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Synthetic molecules for disruption of the MYC protein-protein interface was written by Jacob, Nicholas T.;Miranda, Pedro O.;Shirey, Ryan J.;Gautam, Ritika;Zhou, Bin;de Orbe Izquierdo, M. Elena;Hixon, Mark S.;Hart, Jonathan R.;Ueno, Lynn;Vogt, Peter K.;Janda, Kim D.. And the article was included in Bioorganic & Medicinal Chemistry in 2018.Synthetic Route of C6H8N2O This article mentions the following:

MYC is a key transcriptional regulator involved in cellular proliferation and has established roles in transcriptional elongation and initiation, microRNA regulation, apoptosis, and pluripotency. Despite this prevalence, functional chem. probes of MYC function at the protein level have been limited. Previously, we discovered 5a, that binds to MYC with potency and specificity, downregulates the transcriptional activities of MYC and shows efficacy in vivo. However, this scaffold posed intrinsic pharmacokinetic liabilities, namely, poor solubility that precluded biophys. interrogation. Here, we developed a screening platform based on field-effect transistor anal. (Bio-FET), surface plasmon resonance (SPR), and a microtumor formation assay to analyze a series of new compounds aimed at improving these properties. This blind SAR campaign has produced a new lead compound of significantly increased in vivo stability and solubility for a 40-fold increase in exposure. This probe represents a significant advancement that will not only enable biophys. characterization of this interaction and further SAR, but also contribute to advances in understanding of MYC biol. In the experiment, the researchers used many compounds, for example, 1-(1-Methyl-1H-imidazol-2-yl)ethanone (cas: 85692-37-1Synthetic Route 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. 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. Synthetic Route of C6H8N2O

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Controlling selectivity for cycloadditions of nitrones and alkenes tethered by benzimidazoles: combining experiment and theory was written by Meng, Liping;Wang, Selina C.;Fettinger, James C.;Kurth, Mark J.;Tantillo, Dean J.. And the article was included in European Journal of Organic Chemistry in 2009.Related Products of 3012-80-4 This article mentions the following:

A combined exptl./theor. study on the effects of substituents on regio- and stereoselectivity in intramol. 1,3-dipolar cycloadditions of nitrones and alkenes tethered by benzimidazoles. By employing a large substituent at position R² or R³, complete selectivity was achieved for either the fused or bridged cycloadduct, resp. In addition, these cycloadducts were formed as single diastereomers in all of the cycloadditions examined In the experiment, the researchers used many compounds, for example, 1-Methyl-1H-benzo[d]imidazole-2-carbaldehyde (cas: 3012-80-4Related Products of 3012-80-4).

1-Methyl-1H-benzo[d]imidazole-2-carbaldehyde (cas: 3012-80-4) 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. 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. Related Products of 3012-80-4

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Effect of temperature on the interactions between low bandgap polymer and ionic liquids was written by Attri, Pankaj;Lee, Seung-Hyun;Hwang, Sun Woo;Kim, Joong Il;Jang, Won;Kim, Young Beom;Park, Jung Ho;Kwon, Gi-Chung;Choi, Eun Ha;Kim, In Tae. And the article was included in Thermochimica Acta in 2014.Synthetic Route of C4H7ClN2 This article mentions the following:

In this paper, we have examined the effect of temperature on the interactions between imidazolium and ammonium based ionic liquids (ILs) and the low bandgap polymer (poly(2-heptadecyl-4-vinylthieno[3,4-d]thiazole) (PHVTT)). With the aim of exploring the utility of low bandgap polymers, we have carried out the interaction studies of the polymer with the ILs and investigated the behavior of polymer in the presence of ILs as the function of temperature Recently, ILs have attracted extensive attention in polymer sciences. In this work, we have studied the temperature dependent interactions between the protic IL (1-methylimidazolium chloride ([Mim]Cl) from imidazolium family) and aprotic ILs (tributylmethylammonium Me sulfate ([N₁₄₄₄][MeSO₄]) from ammonium family and 1-butyl-3-methylimidazolium chloride ([Bmim]Cl) from imidazolium family) with a low bandgap polymer. Our exptl. data of UV-vis spectroscopy, photoluminescence (PL) spectroscopy, FT-IR spectroscopy, d. (ρ) and speed of sound (u) as a function of temperature from 25 to 40° with the interval of 5°, clearly reveal that even at high temperature, [Bmim]Cl interacts strongly with the polymer as compared to other studied ILs. In the experiment, the researchers used many compounds, for example, 1-Methyl-1H-imidazol-3-ium chloride (cas: 35487-17-3Synthetic Route of C4H7ClN2).

1-Methyl-1H-imidazol-3-ium chloride (cas: 35487-17-3) 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.Synthetic Route of C4H7ClN2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

The effect of an electron-withdrawing group in the imidazolium cation: the case of nitro-functionalized imidazolium salts as acidic catalysts for the acetylation of glycerol was written by Morais, Eduardo M.;Grillo, Igor B.;Stassen, Hubert K.;Seferin, Marcus;Scholten, Jackson D.. And the article was included in New Journal of Chemistry in 2018.COA of Formula: C4H5N3O2 This article mentions the following:

The acetylation of glycerol was achieved with high conversion and selectivity towards triacetin at low temperatures and short reaction times by using acidic imidazolium salts as catalysts. Moreover, the addition of a nitro group to the imidazolium cation affords a much more competent catalyst, indicating a significant effect provided by the simple electronic change in the imidazolium cation. Theor. calculations revealed increased polarization of the acidic hydrogen bond on the nitrated salts, which may be related to their superior catalytic behavior when compared to the non-functionalized salts. Combining the preliminary exptl. and theor. results, it is possible to suppose that the catalytic activity of acidic imidazolium salts may be better comprehended by its Bronsted acidities, but other parameters such as hardness, electronegativity, electrophilicity and ion-pair binding energy were also evaluated in order to investigate their effects in the acetylation of glycerol promoted by these acidic imidazolium salts. In the experiment, the researchers used many compounds, for example, 1-Methyl-4-nitroimidazole (cas: 3034-41-1COA of Formula: C4H5N3O2).

1-Methyl-4-nitroimidazole (cas: 3034-41-1) 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. COA of Formula: C4H5N3O2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Mechanochemical and conformational study of N-heterocyclic carbonyl-oxime transformations was written by Primozic, Ines;Hrenar, Tomica;Baumann, Kresimir;Kristo, Lucija;Krizic, Ivana;Tomic, Srdanka. And the article was included in Croatica Chemica Acta in 2014.Related Products of 3012-80-4 This article mentions the following:

New mechanochem. pathways for the transformation of six N-heterocyclic carbonyl compounds into oximes using hydroxylamine hydrochloride were explored. Reactions were performed first without any base since the heterocyclic moieties (imidazole, benzimidazole, pyridine and quinuclidine) have an intrinsic basic nitrogen atom. This green, solvent free method was suitable for all compounds (up to quant. yields) except for N-benzyl substituted imidazole and benzimidazole-2-carbaldehyde. For the slower reacting aldehydes, reactions with liquid assisted grinding and addition of sodium hydroxide were performed as well. Conformational anal. and quantum-chem. calculations revealed steric and electronic reasons for the lower reactivity of N-benzyl substituted derivatives In the experiment, the researchers used many compounds, for example, 1-Methyl-1H-benzo[d]imidazole-2-carbaldehyde (cas: 3012-80-4Related Products of 3012-80-4).

1-Methyl-1H-benzo[d]imidazole-2-carbaldehyde (cas: 3012-80-4) 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. Many drugs contain an imidazole ring, such as certain antifungal drugs, the nitroimidazole series of antibiotics, and the sedative midazolam.Related Products of 3012-80-4

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem