Author: Jessica.F

The author of 《ZnO Nanoparticles Catalyst in the Synthesis of Bioactive Fused Pyrimidines as Anti-breast Cancer Agents Targeting VEGFR-2》 were Dawood, Dina H.; Abbas, Eman M. H.; Farghaly, Thoraya A.; Ali, Mamdouh M.; Ibrahim, Mohammed F.. And the article was published in Medicinal Chemistry (Sharjah, United Arab Emirates) in 2019. Product Details of 934-32-7 The author mentioned the following in the article:

A new series of fused pyrimidines I (Ar = C6H5, 4-FC6H4, 4-ClC6H4 etc.), II, III using ZnO(NPs) have been synthesized and investigated for their antitumor efficiency against breast MCF7 cancer and their VEGFR- 2 inhibition properties. The proposed structures of all new fused pyrimidines are in agreement with their spectral data. It was apparent that the 2-phenylpyrazolo[1,5-a]pyrimidine derivatives II (Ar = C6H5) (IC50 = 9.12+/-177;1.16+/-181;g/mL), II (Ar = 2-pyridyl) (IC50 = 9.10+/-177;1.07+/-181;g/mL) and II (Ar = 2-furyl)(IC50 = 9.60+/-177;1.22+/-181;g/mL) exhibited equipotent antitumor activity as Tamoxifen (IC50 = 9.11+/-177;0.90+/-181;g/mL). Also, the inhibitory activity of the novel fused pyrimidine derivatives II (Ar = C6H5, 2-pyridyl, 2-furyl) on VEGFR-2 as well as Tamoxifen was determined using breast cancer cell line MCF-7. The data was obvious that 2-phenylpyrazolo[1,5-a]pyrimidine derivatives exhibited noticeable VEGFR-2 inhibitory effect with %inhibition ranging from 80-84% vs. Tamoxifen 93.5%.1H-Benzo[d]imidazol-2-amine(cas: 934-32-7Product Details of 934-32-7) was used in this study.

1H-Benzo[d]imidazol-2-amine(cas: 934-32-7) can be used in the hydrolysis of a choline carbonate. It was also used in the synthesis of imidazo[1,2-a]benzimidazoles.Product Details of 934-32-7

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

The author of 《Transferable, Polarizable Force Field for Ionic Liquids》 were Goloviznina, Kateryna; Canongia Lopes, Jose N.; Costa Gomes, Margarida; Padua, Agilio A. H.. And the article was published in Journal of Chemical Theory and Computation in 2019. Name: 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate The author mentioned the following in the article:

A general, transferable, polarizable force field for mol. simulation of ionic liquids (ILs) and their mixtures with mol. compounds is developed. This polarizable model is derived from the widely used CL&P fixed-charge force field that describes most families of ILs, in a form compatible with OPLS-AA, one of the major force fields for organic compounds Models for ILs with fixed, integer-ionic charges lead to pathol. slow dynamics, a problem that is corrected when polarization effects are included explicitly. In the model proposed here, Drude-induced dipoles are used with parameters determined from at. polarizabilities. The CL&P force field is modified upon inclusion of the Drude dipoles to avoid double-counting of polarization effects. This modification is based on first-principles calculations of the dispersion and induction contributions to the van der Waals interactions using symmetry-adapted perturbation theory (SAPT) for a set of dimers composed of pos., neg., and neutral fragments representative of a wide variety of ILs. The fragment approach provides transferability, allowing the representation of a multitude of cation and anion families, including different functional groups, without the need to reparametrize. Because SAPT calculations are expensive, an alternative predictive scheme was devised, requiring only mol. properties with a clear phys. meaning, namely, dipole moments and at. polarizabilities. The new polarizable force field, CL&Pol, describes a broad set of ILs and their mixtures with mol. compounds and is validated by comparisons with exptl. data on d., ion diffusion coefficients, and viscosity. The approaches proposed here can also be applied to the conversion of other fixed-charge force fields into polarizable versions. In the experimental materials used by the author, we found 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate(cas: 174501-65-6Name: 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate)

3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate(cas: 174501-65-6) is a member of lonic liquids. Actually, lonic liquids as innovative fluids have received wide attention only during the past two decades. The number of SCI papers published on lonic liquids has exponentially increased from a few in 1996 to >5000 in 2016, exceeding the annual growth rates of other popular scientific areas. Name: 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《Binding selectivity and separation of p-functionalized toluenes with a metallo-cavitand in water》 was published in Chemical Communications (Cambridge, United Kingdom) in 2020. These research results belong to Rahman, Faiz-Ur; Yang, Ji-Min; Wan, Yun-Hui; Zhang, Hui-Bin; Petsalakis, Ioannis D.; Theodorakopoulos, Giannoula; Rebek, Julius; Yu, Yang. Formula: C4H6N2 The article mentions the following:

A metallo-cavitand (1-2Pd) showed unprecedented binding selectivity and sequestration of p-functionalized toluene isomers in water. The host-guest complexation was studied using 1H and COSY NMR methods and xylene-isomer complexes were examined by using DFT calculations A liquid-liquid extraction scheme was developed for the separation of p-functionalized toluenes. In the experimental materials used by the author, we found 1-Methyl-1H-imidazole(cas: 616-47-7Formula: C4H6N2)

1-Methyl-1H-imidazole(cas: 616-47-7) is actively involved in removing acid during the production of diethoxyphenylphosphine. It is used as an intermediate in organic synthesis.Formula: C4H6N2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《Understanding the Influence of Electron-Donating and Electron-Withdrawing Substituents on the Anticorrosive Properties of Imidazole: A Quantum-Chemical Approach》 was written by Al-Saadi, Abdulaziz A.. Name: 1H-Imidazol-2-amine And the article was included in Arabian Journal for Science and Engineering in 2020. The article conveys some information:

The nature and position of electron-donating and electron-withdrawing substituents are believed to play a major role on the corrosion inhibition properties in small organic mols. In this study, the substituent effect on the imidazoles anticorrosive properties has been explored theor. using the d. functional theory performed at the B3LYP/6-311++G(d,p) level. A wide spectrum of substituents including NH2, COOH, I, Br, Cl, F, CN, F, OH, OCH3, NO2, C6H5 and SH groups has been explored in the aqueous medium, and the different possible substitution positions have been investigated. Frontier MOs and quantum-chem. reactivity descriptors were calculated for the neutral and protonated forms of imidazole derivative While the energy gaps, electronegativity and global hardness values showed a very good agreement with the corrosion inhibition performance reported from previous exptl. work for imidazoles, the electrophilicity and mol. volume parameters were found less consistent. This study concluded that the amino and nitro groups, in particular those at C2 and C4 positions, exhibit prominent corrosion inhibition performance. The electron-releasing Ph and methoxy substituents could also play a potential role in enhancing the anticorrosive properties of imidazole. The experimental process involved the reaction of 1H-Imidazol-2-amine(cas: 7720-39-0Name: 1H-Imidazol-2-amine)

1H-Imidazol-2-amine(cas: 7720-39-0) belongs to anime. Amines have a free lone pair with which they can coordinate to metal centers. Amine–metal bonds are weaker because amines are incapable of backbonding, but they are still important for sensing applications.While stronger than hydrogen bonds, amine–metal bonds are still weaker than both covalent and ionic bonds.Name: 1H-Imidazol-2-amine

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Obydennov, Konstantin L.; Kalinina, Tatiana A.; Galieva, Nadezhda A.; Beryozkina, Tetyana V.; Zhang, Yue; Fan, Zhijin; Glukhareva, Tatiana V.; Bakulev, Vasiliy A. published their research in Journal of Agricultural and Food Chemistry in 2021. The article was titled 《Synthesis, Fungicidal Activity and Molecular Docking of 2-Acylamino and 2-Thioacylamino Derivatives of 1H-benzo[d]imidazoles as Anti-Tubulin Agents》.COA of Formula: C7H7N3 The article contains the following contents:

This work dealt with the synthesis and evaluation of fungicidal activity of benzimidazole derivatives, which were structural analogs of com. anti-tubulin fungicides. A series of N-acyl and N-thioacyl derivatives of 2-amino-1H-benzo[d]imidazole I [R1 = H, Me, CF3, CO2Et; R2 = H; R3 = H, Me; R4 = Me, Ph, 2-thienyl, etc.; R1R2 = OCF2O; X = O, S] was prepared and their fungicidal activity against 13 strains of phytopathogenic fungi was studied. The most active compounds against the majority of the studied strains were compounds I [R1 = H, R2 = H, R3 = H, R4 = Ph, X = O; R1 = H, R2 = H, R3 = H, R4 = CF3, X = S; R1R2 = OCF2O, R3 = H, R4 = CF3, X = S] and the EC50 values of these compounds were in the range 2.5-20μg/mL. Compound I [R1 = H, R2 = H, R3 = H, R4 = Ph, X = O] showed the highest activity against the P. infestans strain, the growth of which was not suppressed by carbendazim. The formation of ligand-receptor complexes of various tautomeric forms of the studied benzimidazoles with homologous models of β-tubulins of B. cinerea, F. oxysporum, and P. infestans was modeled. Induced fit docking had been used for the simulation. The obtained data suggested the possibility of binding of benzimidazole fungicides to β-tubulin in the “”nocodazole cavity”” in the tautomeric form bearing a double exocyclic C=N bond. The importance of the formation of hydrogen bonds of benzimidazoles with the amino acid residue Val236 along with the Glu198 residue was also revealed in the present study.1H-Benzo[d]imidazol-2-amine(cas: 934-32-7COA of Formula: C7H7N3) was used in this study.

1H-Benzo[d]imidazol-2-amine(cas: 934-32-7) can be used in the hydrolysis of a choline carbonate. It was also used in the synthesis of imidazo[1,2-a]benzimidazoles.COA of Formula: C7H7N3

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Product Details of 616-47-7In 2019 ,《Heterogeneous PS-Fe-NHC catalysed N-alkylation of amide and amine with alcohol as alkylating agent through dehydrative C-N bond formation reaction》 appeared in Journal of Applicable Chemistry (Lumami, India). The author of the article were Khairnar, Bhikan J.; Girase, Pravinsing S.; Chaudhari, Bhata R.. The article conveys some information:

An efficient, high-yielding and rapid protocol has been developed the N-alkylation reactions of amides and amines through dehydrative C-N bond formation processes by using PS-Fe-NHC as green reusable heterogeneous catalyst. Absence of unwanted products, general applicability, reusability of the catalyst, green synthesis avoiding toxic reagents and improved and operational simplicity make this protocol a useful, greener, cost effective and practical for both academic as well as industrial purposes.1-Methyl-1H-imidazole(cas: 616-47-7Product Details of 616-47-7) was used in this study.

1-Methyl-1H-imidazole(cas: 616-47-7) is used as a precursor for the synthesis of pyrrole-imidazole polyamides, ionic liquids such as 1-butyl-3-methylimidazolium hexafluorophosphate.Product Details of 616-47-7

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Formula: C3H5N3In 2020 ,《Activity-directed expansion of a series of antibacterial agents》 appeared in Chemical Communications (Cambridge, United Kingdom). The author of the article were Leggott, Abbie; Clarke, Justin E.; Chow, Shiao; Warriner, Stuart L.; O’Neill, Alex J.; Nelson, Adam. The article conveys some information:

The feasibility of using activity-directed synthesis to drive antibacterial discovery was investigated. An array of 220 Pd-catalyzed microscale reactions was executed, and the crude product mixtures were evaluated for activity against Staphylococcus aureus. Scale-up of the hit reactions, purification and evaluation, enabled expansion of a class of antibacterial quinazolinones. The novel antibacterials had MICs from 0.016μg mL-1 (i.e. 38 nM) to 2-4μg mL-1 against S. aureus ATCC29213. After reading the article, we found that the author used 1H-Imidazol-2-amine(cas: 7720-39-0Formula: C3H5N3)

1H-Imidazol-2-amine(cas: 7720-39-0) belongs to anime. Hydrogen peroxide (H2O2) and peroxy acids generally add an oxygen atom to the nitrogen of amines. With primary amines, this step is normally followed by further oxidation, leading to nitroso compounds, RNO, or nitro compounds, RNO2. Secondary amines are converted to hydroxylamines, R2NOH, and tertiary amines to amine oxides, R3NO.Formula: C3H5N3

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Recommanded Product: 530-62-1In 2019 ,《CDI cross-linked beta-cyclodextrin nanosponges of paliperidone: synthesis and physicochemical characterization》 was published in Journal of Materials Science: Materials in Medicine. The article was written by Sherje, Atul P.; Surve, Anushree; Shende, Pravin. The article contains the following contents:

Abstract: Paliperidone (PLP) is an antipsychotic drug indicated for treatment and management of schizophrenia. The current study demonstrates potential of PLP-loaded beta-cyclodextrin-based nanosponges (CDNS) for solubility enhancement and prolonged release of PLP. The inclusion complexes of PLP with carbonyldiimidazole (CDI) cross-linked nanosponges were synthesized. The drug-loaded CDNS were characterized for particle size, zeta potential, encapsulation efficiency, stability study, in vitro drug release studies. The interaction of PLP with CDNS was ascertained by FTIR, DSC and PXRD studies. The particle size and zeta potential values were sufficient to obtain stable formulations. Solubility was significantly increased and in vitro drug release studies revealed prolonged release of PLP from the CDNS for 6 h. PXRD study revealed that the crystallinity of PLP was decreased due to complexation with the CDNS. Thus, cyclodextrin-based nanosponges represent a novel approach for solubility enhancement and improved dissolution of selected model drug PLP. [Figure not available: see fulltext.]. The experimental part of the paper was very detailed, including the reaction process of Di(1H-imidazol-1-yl)methanone(cas: 530-62-1Recommanded Product: 530-62-1)

Di(1H-imidazol-1-yl)methanone(cas: 530-62-1) is a coupling agent in the synthesis of dipolar polyamides for nonlinear optical applications and polypeptides. It also used to make β-keto sulfones and sulfoxides, lead sequestering agents, and β-enamino acid derivatives.Recommanded Product: 530-62-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《2-(Trihalomethyl)benzazoles. I. Formation》 was published in Journal of the Chemical Society [Section] C: Organic in 1967. These research results belong to Holan, George; Samuel, Eva L.; Ennis, B. C.; Hinde, Ronald W.. Related Products of 3584-66-5 The article mentions the following:

Methods of preparation of 2-(trihalomethyl)benzimidazoles, -benzothiazoles, and -benzoxazoles were investigated. The reaction of the mono salts of o-phenylenediamines, o-aminophenols, and o-aminothiophenols with trichloroacetonitrile or trichloroacetimidate esters affords 2-(trichloromethyl)-substituted benzimidazoles, benzoaxazoles, and benzothiazoles. This method was extended to the preparation of 2-(trichloromethyl)-2-imidazolines. A general method of preparation of 2,2′-bibenzimidazolyl (I) derivatives is also described. 20 references. In the experiment, the researchers used 5-Chloro-2-(trichloromethyl)-1H-benzo[d]imidazole(cas: 3584-66-5Related Products of 3584-66-5)

5-Chloro-2-(trichloromethyl)-1H-benzo[d]imidazole(cas: 3584-66-5) belongs to imidazoles.Although other azole heterocycles are ubiquitous in a wide range of biologically active natural products, imidazole rings occur predominantly in the natural amino acid histidine. Related Products of 3584-66-5 In addition, imidazole rings are part of unnatural cyclic peptides and are used as ester isosteres in peptidomimetic studies.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2020,Chemical Communications (Cambridge, United Kingdom) included an article by Wei, Yi-Ming; Ma, Xiao-Di; Wang, Lei; Duan, Xin-Fang. Application of 258278-25-0. The article was titled 《Iron-catalyzed stereospecific arylation of enol tosylates using Grignard reagents》. The information in the text is summarized as follows:

The stereospecific Fe-catalyzed arylation of enol tosylates with Grignard reagents was reported for the synthesis of Z- and E- tri/tetrasubstituted acrylates (Ar)(R)C=C(CO2R1)(R2) [R = Me, i-Pr, Ph, etc.; R1 = Me, Et; R2 = H, Me, Ph; Ar = Ph, 2-CNC6H4, 2-thienyl, etc.]. Various tri- or tetrasubstituted Z or E-enol tosylates of β-keto esters were arylated using common and Knochel-type Grignard reagents with complete stereofidelity. The precursors for Z/E-zimelidine, tamoxifen and other bioactive compounds were facilely prepared without precious and toxic transition metals. The results came from multiple reactions, including the reaction of 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride(cas: 258278-25-0Application of 258278-25-0)

1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride(cas: 258278-25-0) has been employed in an efficient, one-pot synthesis of N-heterocyclic carbene-allylpalladium complexes.Application of 258278-25-0In addition, it can efficiently catalyze the Suzuki-Miyaura coupling of aryl chlorides with aryl boronic acids.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem