Month: January 2023

Synthesis of designed bleomycin models with different DNA recognition sites was written by Huang, Liren;Quada, James C. Jr.;Lown, J. William. And the article was included in Heterocyclic Communications in 1995.COA of Formula: C6H7N3O4 This article mentions the following:

The design and synthesis are described of compounds I (R = Q, X = N, CH, n = 1, 2, R = NHCOPr, H, Q¹; R = Q¹) that are functional models for the antitumor antibiotic bleomycin. These models contain peptidic heterocyclic moieties with various DNA sequence selectivities that have been incorporated as DNA binding sites. The multi-functional heterocyclic unit AMPHIS serves as the metal complexing subunit and chiral 1,2-trans-disubstituted cyclopropane are employed as linkers. In the experiment, the researchers used many compounds, for example, Methyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate (cas: 169770-25-6COA of Formula: C6H7N3O4).

Methyl 1-methyl-4-nitro-1H-imidazole-2-carboxylate (cas: 169770-25-6) 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 derivatives have antibacterial, antifungal and anticancer functionality. It interacts with DNA and also binds to protein and stops cell division.COA of Formula: C6H7N3O4

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Impedance sensing platform for 4,4′-dibromobiphenyl based on a molecularly imprinted polymerized ionic liquid film/gold nanoparticle-modified glassy carbon electrode was written by Wei, Qiuxi;Wu, Kangbing;Wang, Zhengguo;Ye, Xiaoxue;Li, Chunya;Wang, Yanying;Gan, Tian. And the article was included in Journal of Nanoparticle Research in 2018.Computed Properties of C9H15F6N2P This article mentions the following:

1-Vinyl-3-butyl-imidazolium hexafluorophosphate (VBimPF₆) was used as a functional monomer to fabricate an imprinted film onto a glassy carbon electrode modified with gold nanoparticle under the conditions applying 4,4′-dibromobiphenyl (DiBB) as a template, ethylene glycol dimethacrylate (EGDMA) as a cross-linker, and ammonium persulfate and N,N,N’,N’-tetramethylethylenediamine as initiators at room temperature After the fabrication process, the embedded DiBB template was removed to obtain a new electrochem. sensor with high specific recognition sites toward DiBB. The morphol. of the electrode surface was characterized with scanning electron microscope and at. force microscope. Electrochem. impedance spectroscopy was used to test the sensing performances of this newly developed electrode. The imprinted film exhibited high selectivity and sensitivity in the determination of DiBB. Under optimized conditions, the charge transfer resistance attributed to the interaction of DiBB with the electrode was found linearly related to the logarithm of DiBB concentration in the range from 0.005 to 10.0μM. The estimated detection limit is 0.001μM (S/N = 3). Therefore, this electrode shows great application potential for the determination of trace DiBB contents in soil samples. In the experiment, the researchers used many compounds, for example, 1-Butyl-3-vinyl-1H-imidazol-3-ium hexafluorophosphate(V) (cas: 915358-85-9Computed Properties of C9H15F6N2P).

1-Butyl-3-vinyl-1H-imidazol-3-ium hexafluorophosphate(V) (cas: 915358-85-9) belongs to imidazole derivatives. Imidazole is a heterocyclic compound with a five-membered planar ring. It is amphoteric and highly polar. 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).Computed Properties of C9H15F6N2P

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Synthesis of methylal from methanol and formaldehyde catalyzed by Bronsted acid ionic liquids with different alkyl groups was written by Sun, Jiahan;Li, Hansheng;Song, Haoran;Wu, Qin;Zhao, Yun;Jiao, Qingze. And the article was included in RSC Advances in 2015.Product Details of 21252-69-7 This article mentions the following:

The catalytic reaction of methanol with formaldehyde for the preparation of methylal was investigated in various Bronsted acid ionic liquids with different carbon chain length of alkyl groups. The structures, acidities and properties of ionic liquids were exptl. characterized and theor. analyzed. The Bronsted acidity-viscosity-activity correlation for the ionic liquids was studied. Among all these ionic liquids, [C₆ImBS][HSO₄] exhibited the best catalytic performance, which was ascribed to its strong Bronsted acidity and low viscosity. The catalytic activity of the ionic liquid was near that of concentrated sulfuric acid. The influences of ionic liquid dosage, reaction temperature and molar ratio of methanol to formaldehyde were explored using [C₆ImBS]HSO₄ as the catalyst. Under the optimal conditions of n(methanol) : n(formaldehyde) : n(ILs) = 2.5 : 1 : 0.0258, 60 °C, and 4 h, the conversion of formaldehyde can reach 63.37%. The ionic liquid [C₆ImBS]HSO₄ could be reused. In the experiment, the researchers used many compounds, for example, 1-Octyl-1H-imidazole (cas: 21252-69-7Product Details of 21252-69-7).

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

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Organocatalytic Enantioselective Conjugate Alkynylation of β-Aminoenones: Access to Chiral β-Alkynyl-β-Amino Carbonyl Derivatives was written by Wang, Jian-Fei;Meng, Xin;Zhang, Chao-Huan;Yu, Chuan-Ming;Mao, Bin. And the article was included in Organic Letters in 2020.Quality Control of 1-(1-Methyl-1H-imidazol-2-yl)ethanone This article mentions the following:

Readily available potassium alkynyltrifluoroborates were used for organocatalytic asym. conjugate alkynylation of β-enaminones. The interception of a modified binaphthol catalyst and in situ generated organodifluoroboranes proved important to access functionalized β-alkynyl-β-amino carbonyls and derivatives with improved chemo-reactivity and enantio-induction. Mechanistic studies revealed the impact of mol. sieves on efficiency and stereocontrol. The products undergo addnl. functionalization to yield a diverse set of valuable β-alkynyl-β-amino carbonyl scaffolds. In the experiment, the researchers used many compounds, for example, 1-(1-Methyl-1H-imidazol-2-yl)ethanone (cas: 85692-37-1Quality Control of 1-(1-Methyl-1H-imidazol-2-yl)ethanone).

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

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Reversed-phase liquid chromatographic method for the determination of selected room-temperature ionic liquid cations was written by Stepnowski, Piotr;Muller, Anja;Behrend, Peter;Ranke, Johannes;Hoffmann, Jens;Jastorff, Bernd. And the article was included in Journal of Chromatography, A in 2003.Computed Properties of C7H13ClN2 This article mentions the following:

The separation of selected 1-alkyl- and 1-aryl-3-methylimidazolium-based room temperature ionic liquid cations has been performed using reversed-phase high-performance liquid chromatog. with electrospray ionization mass detection. The RP-HPLC method development started with the selection of a column taking into account especially the resolution of low mol. congeners of the selected group. Mobile phase composition was optimized for peak resolution, sensitivity and high reproducibility of retention values. The results of the method development were applied to the determination of exemplary ionic liquid species present in the medium used in cytotoxicity studies. In the experiment, the researchers used many compounds, for example, 1-Methyl-3-propylimidazolium Chloride (cas: 79917-89-8Computed Properties of C7H13ClN2).

1-Methyl-3-propylimidazolium Chloride (cas: 79917-89-8) belongs to imidazole derivatives. Imidazole is a heterocyclic compound with a five-membered planar ring. It is amphoteric and highly polar. Many drugs contain an imidazole ring, such as certain antifungal drugs, the nitroimidazole series of antibiotics, and the sedative midazolam.Computed Properties of C7H13ClN2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Design and synthesis of vandetanib derivatives containing nitroimidazole groups as tyrosine kinase inhibitors in normoxia and hypoxia was written by Wei, Huiqiang;Li, Deguan;Yang, Xiangbo;Shang, Haihua;Fan, Saijun;Li, Yiliang;Song, Dan. And the article was included in Molecules in 2016.Quality Control of 2-(2-Nitro-1H-imidazol-1-yl)acetic acid This article mentions the following:

Sixteen novel epidermal growth factor receptor (EGFR)/vascular endothelial growth factor (VEGF)-2 inhibitors (nitroimidazole-substituted 4-anilinoquinazoline derivatives) I (R¹ = H, CH₃, NO₂; R² = H, NO₂; X¹ = H, F, Cl; X² = H, F, Br, Cl; X³ = H, Br, F, Me, Cl; n = 1, 2, 3) were designed and prepared via the introduction of a nitroimidazole group in the piperidine side chain and modification on the aniline moiety of vandetanib. Preliminary biol. tests showed that comparing with vandetanib, some target compounds exhibited excellent EGFR inhibitory activities and anti-proliferative over A549/H446 cells in hypoxia. Meanwhile, several of the above compounds demonstrated better bioactivity than vandetanib in VEGF gene expression inhibition. Owing to the excellent IC₅₀ value (1.64 μmol/L), the inhibition ratios of compound I (R¹ = H; R² = NO₂; X¹ = F; X² = H; X³ = Br; n = 1) over A549 and H446 cells were 62.01% and 59.86% at the concentration of 0.5 μM in hypoxia, resp. All of these results indicated that compound I (R¹ = H; R² = NO₂; X¹ = F; X² = H; X³ = Br; n = 1) was a potential cancer therapeutic agent in hypoxia and was worthy of further development. In the experiment, the researchers used many compounds, for example, 2-(2-Nitro-1H-imidazol-1-yl)acetic acid (cas: 22813-32-7Quality Control 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. 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. Quality Control of 2-(2-Nitro-1H-imidazol-1-yl)acetic acid

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

On the Colossal and Highly Anisotropic Thermal Expansion Exhibited by Imidazolium Salts was written by de Pedro, I.;Garcia-Saiz, A.;Dupont, J.;Migowski, P.;Vallcorba, O.;Junquera, J.;Rius, J.;Rodriguez Fernandez, J.. And the article was included in Crystal Growth & Design in 2015.Computed Properties of C7H13ClN2 This article mentions the following:

The imidazolium salts 1-ethyl-2,3-dimethylimidazolium chloride, Edimim[Cl], and bromide, Edimim[Br], exhibit neg. and pos. thermal expansions, as determined by variable-temperature synchrotron powder x-ray diffraction experiments Both compounds crystallize in the same monoclinic centrosym. space group, showing an anisotropic H-bonding network and imidazolium-imidazolium π⁺-π⁺ interactions, which were corroborated by d. functional theory studies. The chloride derivative displays a highly anisotropic thermal expansion with a colossal pos. coefficient along one direction. Replacement of Cl^– by Br^– in the same crystal structure produces an increase of the colossal coefficient and induces a biaxial neg. thermal expansion. By studying the mol. vibration factors and the H-bonding framework in their crystals as a function of temperature, it was possible to rationalize at the mol. level the mechanism for the observed anomalies in thermal expansion. Crystallog. data and at. coordinates are given. In the experiment, the researchers used many compounds, for example, 1-ethyl-2,3-dimethylimidazolium chloride (cas: 92507-97-6Computed Properties of C7H13ClN2).

1-ethyl-2,3-dimethylimidazolium chloride (cas: 92507-97-6) 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. Computed Properties of C7H13ClN2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Manganese-Catalyzed Asymmetric Hydrogenation of 3H-Indoles was written by Liu, Chenguang;Wang, Mingyang;Xu, Yihan;Li, Yibiao;Liu, Qiang. And the article was included in Angewandte Chemie, International Edition in 2022.Computed Properties of C9H8N2O This article mentions the following:

A Mn-catalyzed AH of 3H-indoles e.g., 2,3,3-trimethyl-3H-indole with excellent yields and enantioselectivities was reported. The kinetic resolution of racemic 3H-indoles by AH was also achieved with high s-factors to construct quaternary stereocenters e.g., 3,3-dimethyl-2-phenyl-3H-indole. Many acid-sensitive functional groups, which cannot be tolerated when using a state-of-the-art ruthenium catalyst, were compatible with manganese catalysis. This new process expands the scope of this transformation and highlights the uniqueness of earth-abundant metal catalysis. The reaction could proceed with catalyst loadings at the ppm (ppm) level with an exceptional turnover number of 72 350. This is the highest value yet reported for an earth-abundant metal-catalyzed AH reaction. In the experiment, the researchers used many compounds, for example, 1-Methyl-1H-benzo[d]imidazole-2-carbaldehyde (cas: 3012-80-4Computed Properties of C9H8N2O).

1-Methyl-1H-benzo[d]imidazole-2-carbaldehyde (cas: 3012-80-4) 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. 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 C9H8N2O

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

COSMOTherm as a Tool for Estimating the Thermophysical Properties of Alkylimidazoles as Solvents for CO₂ Separations was written by Bara, Jason E.;Moon, Joshua D.;Reclusado, Kristofer R.;Whitley, John W.. And the article was included in Industrial & Engineering Chemistry Research in 2013.Quality Control of 1-Octyl-1H-imidazole This article mentions the following:

The imidazole core is a versatile building block for a variety of materials including pharmaceuticals, ionic liquids, and polymers. While the thermophys. properties of ionic liquids and their application as solvents for CO₂ separations have been the focus of a broad research effort for more than a decade, studies on properties and applications of imidazoles (from which many ILs are synthesized) have begun only recently. Similar to ILs, the phys. and chem. properties of imidazoles can also be tuned via mol. design strategies, resulting in a vast array of possible structures. This immense exptl. space necessitates the use of a rapid means of predicting thermophys. properties to guide the design of future solvents and gain fundamental insights into structure-property relationships. To this end, we have employed COSMOTherm as a means of rapidly screening properties of alkylimidazoles relevant to CO₂ separation processes and comparing these calculated values to exptl. results. Results indicate that COSMOTherm is an effective and accurate tool for predicting the properties of smaller alkylimidazoles (e.g., 1-methylimidazole), but in many cases is much less accurate for the larger alkylimidazoles. In the experiment, the researchers used many compounds, for example, 1-Octyl-1H-imidazole (cas: 21252-69-7Quality Control of 1-Octyl-1H-imidazole).

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

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Divergent Strategies for the π-Extension of Heteroaryl Halides Using Norbornadiene as an Acetylene Synthon was written by Jeong, Siyeon;Kim, Eunmin;Kim, Minkyu;Hwang, Ye Ji;Padhi, Birakishore;Choi, Jonghoon;Lee, Yunho;Joo, Jung Min. And the article was included in Organic Letters in 2020.COA of Formula: C8H8N2 This article mentions the following:

Pd-catalyzed multicomponent coupling reactions of five-membered heteroaryl halides and norbornadiene (NBD) were developed. Either direct addition of (benzo)azoles or 2:1 annulation was achieved depending on the propensity of the intermediate complex to undergo palladacycle formation, determined by the nature and substitution pattern of the heteroarene. The obtained exo- and cis-diheteroaryl norbornenes underwent epimerization and retro-Diels-Alder reactions to afford the corresponding trans-isomers and π-extended heteroaromatic systems, resp., demonstrating the versatility of NBD as an acetylene synthon. In the experiment, the researchers used many compounds, for example, 1-Methylbenzimidazole (cas: 1632-83-3COA of Formula: C8H8N2).

1-Methylbenzimidazole (cas: 1632-83-3) 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.COA of Formula: C8H8N2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem