Tag: 100-200

COA of Formula: C7H7N3In 2020 ,《Surface analysis and interface properties of 2-aminobenzimidazole corrosion inhibitor for brass in chloride solution》 was published in Analytical and Bioanalytical Chemistry. The article was written by Finsgar, Matjaz. The article contains the following contents:

This work presents a corrosion study of 2-aminobenzimidazole (ABI) as a corrosion inhibitor for brass in chloride solution Electrochem., field emission SEM, at. force microscopy, and contact angle measurements showed that ABI mitigates brass corrosion after short-, medium-, and long-term immersion periods. Next, a detailed surface anal. of the ABI adsorbed on the brass surface was performed using attenuated total reflectance Fourier transform IR spectroscopy, XPS, and time-of-flight secondary ion mass spectrometry (ToF-SIMS) techniques. XPS imaging was performed in association with principal component anal. to determine the different phases on the surface. In order to describe the in-depth composition of the ABI surface, an angle-resolved XPS anal. was performed. This anal. was further supported by gas cluster ion beam sputtering to gradually remove the ABI surface layer, and XPS anal. was performed after each sputtering cycle. Finally, TOF-SIMS analyses showed the formation of Cu/Cu2-ABI and Zn-ABI compounds, the 2D distribution of ABI-related compounds, and their thermal stability on the brass surface. The experimental part of the paper was very detailed, including the reaction process of 1H-Benzo[d]imidazol-2-amine(cas: 934-32-7COA of Formula: C7H7N3)

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

In 2022,Yuan, Shuai; Han, Yaguang; Xiang, Dong; Wang, Bo; Chen, Yi; Hao, Yangquan published an article in Nanomedicine (New York, NY, United States). The title of the article was 《An injectable hydroxypropyl-β-cyclodextrin cross-linked gelatin-based hydrogel loaded bone mesenchymal stem cell for osteogenic and in vivo bone regeneration of femoral head necrosis》.Application of 530-62-1 The author mentioned the following in the article:

An injectable hydroxypropyl-β-cyclodextrin (HPβCD) crosslinking of gelatin (Gel) based hydrogel was embedded with BMSC in vivo bone regeneration of femoral head necrosis. This HPβCD-Gel hydrogel possesses quick gelation within 6 min; a high-water uptake resulted in faster biodegradation, high swelling, and a 3D porous network that strengthened its mech., surface, and morphol. properties. The results indicated that BMSC showed high cell viability (>90%) during measurement; HPβCD-Gel hydrogels induced BMSC differentiation into osteocytes within 14 days more efficiently than the osteogenic medium. The HPβCD-Gel/BMSC hydrogels that were injected into the necrosis site of the femoral head in the vessels were measured for 2 wk. In addition, the vessel d. and mean vessel diameters increased in the next 2-8 wk followed by increased new bone formation, according to the in vivo anal. Overall, our findings show that this method is a promising strategy for improving femoral head necrosis bone regeneration. After reading the article, we found that the author used Di(1H-imidazol-1-yl)methanone(cas: 530-62-1Application of 530-62-1)

Di(1H-imidazol-1-yl)methanone(cas: 530-62-1) is a peptide coupling reagent,it is used in the synthesis of peptides. Reacts readily with carboxylic acids to form acyl imidazoles; subsequent reaction with amines to form amides goes smoothly.Application of 530-62-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2022,Adel, Khiouani; Hachani, Salah Eddine; Selatnia, Ilhem; Nebbache, Nadia; Makhloufi, Sofiane published an article in Journal of the Indian Chemical Society. The title of the article was 《Correlating the inhibitory action of novel benzimidazole derivatives on mild steel corrosion with DFT-based reactivity descriptors and MD simulations》.Application of 4857-06-1 The author mentioned the following in the article:

The inhibitive action of three novel benzimidazole derivatives namely 2-(2-pyridyl)benzimidazole (B3), 2-bromo-1H-benzimidazole (B2), and 2-chlorobenzimidazole (B1) on mild steel corrosion was investigated using d. functional theory (DFT) approach and mol. dynamics simulations (MD). Global reactivity parameters such as the EHOMO, ELUMO, energy gap (ΔE), global softness (σ), electronegativity (χ), electrophilicity index (ω), global hardness (η) and the fraction of electron transferred from the inhibitor to mild steel surface (ΔN) were calculated and discussed with the help of 3-21 G, 6-31 G, 6-31G++ and 6-G++(d,p) methods. Fukui local reactivity indexes as well as the dual descriptors were calculated, and the obtained results indicates that all inhibitors mols. have several active sites for both electrophilic and nucleophilic attacks. The adsorption of the mols. under investigation on the Fe (110) surface was quantified using mol. dynamics simulation (MD). The obtained binding energy in both non-protonated and protonated from of the concerned benzimidazole derivatives increases as follows: B3 > B2 > B1, which emphasizes the order of the exptl. inhibition effectiveness of the mols. under probe. The formation of bonding and nonbonding interactions in systems of Fe-inhibitors was analyzed by pair correlation function. Our theor. outcomes were found to be well correlated to the exptl. findings earlier reported. In the part of experimental materials, we found many familiar compounds, such as 2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1Application of 4857-06-1)

2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1) binds to monoclonal antibodies, inhibiting their binding to their corresponding antigens. This activity may be due to its ability to bind covalently with amino groups on proteins and other molecules.Application of 4857-06-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

The author of 《Design and Synthesis of Poly(ADP-ribose) Polymerase Inhibitors: Impact of Adenosine Pocket-Binding Motif Appendage to the 3-Oxo-2,3-dihydrobenzofuran-7-carboxamide on Potency and Selectivity》 were Velagapudi, Uday Kiran; Langelier, Marie-France; Delgado-Martin, Cristina; Diolaiti, Morgan E.; Bakker, Sietske; Ashworth, Alan; Patel, Bhargav A.; Shao, Xuwei; Pascal, John M.; Talele, Tanaji T.. And the article was published in Journal of Medicinal Chemistry in 2019. Synthetic Route of C7H5ClN2 The author mentioned the following in the article:

Poly(ADP-ribose) polymerase (PARP) inhibitors are a class of anticancer drugs that block the catalytic activity of PARP proteins. Optimization of our lead compound 1 ((Z)-2-benzylidene-3-oxo-2,3-dihydrobenzofuran-7-carboxamide; PARP-1 IC50 = 434 nM) led to a tetrazolyl analog (51, IC50 = 35 nM) with improved inhibition. Isosteric replacement of the tetrazole ring with a carboxyl group (60, IC50 = 68 nM) gave a promising new lead, which was subsequently optimized to obtain analogs with potent PARP-1 IC50 values (4-197 nM). PARP enzyme profiling revealed that the majority of compounds are selective toward PARP-2 with IC50 values comparable to clin. inhibitors. X-ray crystal structures of the key inhibitors bound to PARP-1 illustrated the mode of interaction with analog appendages extending toward the PARP-1 adenosine-binding pocket. Compound 81, an isoform-selective PARP-1/-2 (IC50 = 30 nM/2 nM) inhibitor, demonstrated selective cytotoxic effect toward breast cancer gene 1 (BRCA1)-deficient cells compared to isogenic BRCA1-proficient cells. The results came from multiple reactions, including the reaction of 2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1Synthetic Route of C7H5ClN2)

2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1) is an analog of benzimidazole that has been synthesized by Langmuir adsorption isotherm. It is a white crystalline solid that can be dissolved in water and hydrochloric acid. 2-Chloro-1H-benzo[d]imidazole inhibits the growth of herpes simplex virus by acting as a competitive inhibitor for the viral enzyme thymidine kinase, which catalyzes the conversion of thymine to thymidine.Synthetic Route of C7H5ClN2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Ladduwahetty, Tammy; Lee, Matthew R.; Maillard, Michel C.; Cachope, Roger; Todd, Daniel; Barnes, Michael; Beaumont, Vahri; Chauhan, Alka; Gallati, Caroline; Haughan, Alan F.; Kempf, Georg; Luckhurst, Christopher A.; Matthews, Kim; McAllister, George; Mitchell, Philip; Patel, Hiral; Rose, Mark; Saville-Stones, Elizabeth; Steinbacher, Stefan; Stott, Andrew J.; Thatcher, Emma; Tierney, Jason; Urbonas, Liudvikas; Munoz-Sanjuan, Ignacio; Dominguez, Celia published an article in Journal of Medicinal Chemistry. The title of the article was 《Identification of a Potent, Selective, and Brain-Penetrant Rho Kinase Inhibitor and its Activity in a Mouse Model of Huntington’s Disease》.Electric Literature of C8H6N2O The author mentioned the following in the article:

The Rho kinase (ROCK) pathway is implicated in the pathogenesis of several conditions, including neurol. diseases. In Huntington’s disease (HD), ROCK is implicated in mutant huntingtin (HTT) aggregation and neurotoxicity, and members of the ROCK pathway are increased in HD mouse models and patients. To validate this mode of action as a potential treatment for HD, a potent, selective, central nervous system (CNS)-penetrant ROCK inhibitor was sought. Identifying a compound that could be dosed orally in mice with selectivity against other AGC kinases, including protein kinase G (PKG), whose inhibition could potentially activate the ROCK pathway, was paramount for the program. The optimization of published ligands to identify a novel series of ROCK inhibitors based on a piperazine core was demonstrated. Morphing of the early series developed inhouse by scaffold hopping enabled the identification of a compound exhibiting high potency and desired selectivity and demonstrating a robust pharmacodynamic (PD) effect by the inhibition of ROCK-mediated substrate (MYPT1) phosphorylation after oral dosing. The results came from multiple reactions, including the reaction of Imidazo[1,2-a]pyridine-5-carbaldehyde(cas: 372147-50-7Electric Literature of C8H6N2O)

Imidazo[1,2-a]pyridine-5-carbaldehyde(cas: 372147-50-7) belongs to imidazoles.Imidazole rings are part of unnatural cyclic peptides and are used as ester isosteres in peptidomimetic studies.
Electric Literature of C8H6N2O However, the application of imidazoles is not limited to the field of peptides and peptidomimetics.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Kweon, Jeonguk; Chang, Sukbok published an article in 2021. The article was titled 《Highly robust iron catalyst system for intramolecular C(sp3)-H amidation leading to γ-lactams》, and you may find the article in Angewandte Chemie, International Edition.Name: Di(1H-imidazol-1-yl)methanone The information in the text is summarized as follows:

Disclosed here is the use of an iron catalyst system for an intramol. C-H amidation toward γ-lactam synthesis from dioxazolone precursors. (Phthalocyanine)FeIIICl was found to catalyze this cyclization with extremely high turnover numbers of up to 47 000 under mild and aerobic conditions. On the basis of exptl. and computational mechanistic studies, the reaction is suggested to proceed by a stepwise radical pathway involving fast hydrogen atom abstraction followed by radical rebound. A plausible origin for the high turnover numbers along with air-compatibility is also rationalized. In addition to this study using Di(1H-imidazol-1-yl)methanone, there are many other studies that have used Di(1H-imidazol-1-yl)methanone(cas: 530-62-1Name: Di(1H-imidazol-1-yl)methanone) was used in this study.

Di(1H-imidazol-1-yl)methanone(cas: 530-62-1) is a peptide coupling reagent,it is used in the synthesis of peptides. Reacts readily with carboxylic acids to form acyl imidazoles; subsequent reaction with amines to form amides goes smoothly.Name: Di(1H-imidazol-1-yl)methanone

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Kollar, Levente; Gobec, Martina; Szilagyi, Bence; Proj, Matic; Knez, Damijan; Abranyi-Balogh, Peter; Petri, Laszlo; Imre, Timea; Bajusz, David; Ferenczy, Gyorgy G.; Gobec, Stanislav; Keseru, Gyorgy M.; Sosic, Izidor published an article in 2021. The article was titled 《Discovery of selective fragment-sized immunoproteasome inhibitors》, and you may find the article in European Journal of Medicinal Chemistry.Reference of 1H-Benzo[d]imidazol-2-amine The information in the text is summarized as follows:

Proteasomes contribute to maintaining protein homeostasis and their inhibition is beneficial in certain types of cancer and in autoimmune diseases. However, the inhibition of the proteasomes in healthy cells leads to unwanted side-effects and significant effort has been made to identify inhibitors specific for the immunoproteasome, especially to treat diseases which manifest increased levels and activity of this proteasome isoform. Here, we report our efforts to discover fragment-sized inhibitors of the human immunoproteasome. The screening of an inhouse library of structurally diverse fragments resulted in the identification of benzo[d]oxazole-2(3H)-thiones, benzo[d]thiazole-2(3H)-thiones, benzo[d]imidazole-2(3H)-thiones, and 1-methylbenzo[d]imidazole-2(3H)-thiones (with a general term benzoXazole-2(3H)-thiones) as inhibitors of the chymotrypsin-like (β5i) subunit of the immunoproteasome. A subsequent structure-activity relationship study provided us with an insight regarding growing vectors. Binding to the β5i subunit was shown and selectivity against the β5 subunit of the constitutive proteasome was determined Thorough characterization of these compounds suggested that they inhibit the immunoproteasome by forming a disulfide bond with the Cys48 available specifically in the β5i active site. To obtain fragments with biol. more tractable covalent interactions, we performed a warhead scan, which yielded benzoXazole-2-carbonitriles as promising starting points for the development of selective immunoproteasome inhibitors with non-peptidic scaffolds. The results came from multiple reactions, including the reaction of 1H-Benzo[d]imidazol-2-amine(cas: 934-32-7Reference of 1H-Benzo[d]imidazol-2-amine)

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.Reference of 1H-Benzo[d]imidazol-2-amine

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Dziwornu, Godwin Akpeko; Coertzen, Dina; Leshabane, Meta; Korkor, Constance M.; Cloete, Cleavon K.; Njoroge, Mathew; Gibhard, Liezl; Lawrence, Nina; Reader, Janette; van der Watt, Mariette; Wittlin, Sergio; Birkholtz, Lyn-Marie; Chibale, Kelly published their research in Journal of Medicinal Chemistry in 2021. The article was titled 《Antimalarial Benzimidazole Derivatives Incorporating Phenolic Mannich Base Side Chains Inhibit Microtubule and Hemozoin Formation: Structure-Activity Relationship and In Vivo Oral Efficacy Studies》.Formula: C7H5ClN2 The article contains the following contents:

A novel series of antimalarial benzimidazole derivatives incorporating phenolic Mannich base side chains at the C2 position, which possess dual asexual blood and sexual stage activities, is presented. Structure-activity relationship studies revealed that the 1-benzylbenzimidazole analogs possessed submicromolar asexual blood and sexual stage activities in contrast to the 1H-benzimidazole analogs, which were only active against asexual blood stage (ABS) parasites. Further, the former demonstrated microtubule inhibitory activity in ABS parasites but more significantly in stage II/III gametocytes. In addition to being bona fide inhibitors of hemozoin formation, the 1H-benzimidazole analogs also showed inhibitory effects on microtubules. In vivo efficacy studies in Plasmodium berghei-infected mice revealed that the frontrunner compound 41(I) exhibited high efficacy (98% reduction in parasitemia) when dosed orally at 4 × 50 mg/kg. Generally, the compounds were noncytotoxic to mammalian cells. In addition to this study using 2-Chloro-1H-benzo[d]imidazole, there are many other studies that have used 2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1Formula: C7H5ClN2) was used in this study.

2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1) binds to monoclonal antibodies, inhibiting their binding to their corresponding antigens. This activity may be due to its ability to bind covalently with amino groups on proteins and other molecules.Formula: C7H5ClN2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《Quantitative Analysis on Two-Point Ligand Modulation of Iridium Catalysts for Chemodivergent C-H Amidation》 was published in Journal of the American Chemical Society in 2020. These research results belong to Hwang, Yeongyu; Jung, Hoimin; Lee, Euijae; Kim, Dongwook; Chang, Sukbok. HPLC of Formula: 530-62-1 The article mentions the following:

The transition-metal-catalyzed nitrenoid transfer reaction is one of the most attractive methods for installing a new C-N bond into diverse reactive units. While numerous selective aminations are known, understanding complex structural effects of the key intermediates on the observed chemoselectivity is still elusive in most cases. Herein, we report a designing approach to enable selective nitrenoid transfer leading to sp2 spirocyclization and sp3 C-H insertion by cooperative two-point modulation of ligands in the CpXIr(III)(κ2-chelate) catalyst system. Computational anal. led us to interrogate structural motifs that can be attributed to the desired mechanistic dichotomy. Multivariate linear regression anal. on the perturbation on the η5-cyclopentadienyl ancillary (CpX) and LX coligand, wherein we prepared over than 40 new catalysts for screening, allowed for construction of an intuitive yet robust statistical model that predicts a large set of chemoselective outcomes, implying that the catalysts’ structural effects play a critical role on the chemoselective nitrenoid transfer. On the basis of this quant. anal., a new catalytic platform is now established for the unique lactam formation, leading to the unprecedented chemoselective reactivity (up to >20:1) toward a diverse array of competing sites, such as tertiary, secondary, benzylic, allylic C-H bonds, and aromatic π system. In the experimental materials used by the author, we found Di(1H-imidazol-1-yl)methanone(cas: 530-62-1HPLC of Formula: 530-62-1)

Di(1H-imidazol-1-yl)methanone(cas: 530-62-1) is a peptide coupling reagent,it is used in the synthesis of peptides. Reacts readily with carboxylic acids to form acyl imidazoles; subsequent reaction with amines to form amides goes smoothly.HPLC of Formula: 530-62-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《Effects of primary amine-based coatings on microglia internalization of nanogels》 was published in Colloids and Surfaces, B: Biointerfaces in 2020. These research results belong to Mauri, Emanuele; Veglianese, Pietro; Papa, Simonetta; Rossetti, Arianna; De Paola, Massimiliano; Mariani, Alessandro; Posel, Zbysek; Posocco, Paola; Sacchetti, Alessandro; Rossi, Filippo. Formula: C7H6N4O The article mentions the following:

Nanogels represent a pivotal class of biomaterials in the therapeutic intracellular treatment of many diseases, especially those involving the central nervous system (CNS). Their biocompatibility and synergy with the biol. environment encourage their cellular uptake, releasing the curative cargo in the desired area. As a main drawback, microglia are generally able to phagocytize any foreign element overcoming the blood brain barrier (BBB), including these materials, drastically limiting their bioavailability for the target cells. In this work, we investigated the opportunity to tune and therefore reduce nanogel internalization in microglia cultures, exploiting the orthogonal chem. functionalization with primary amine groups, as a surface coating strategy. Nanogels are designed by following two methods, the direct grafting of aliphatic primary amines and the linkage of -NH2 modified PEG on the nanogel surface. The latter synthesis was proposed to evaluate the combination of PEGylation with the basic nitrogen atom. The achieved results indicate the possibility of effectively modulating the uptake of nanogels, in particular limiting their internalization using the PEG-NH2 coating. This outcome could be considered a promising strategy for the development of carriers for drugs or gene delivery that could overcome microglia scavenging. In the experiment, the researchers used Di(1H-imidazol-1-yl)methanone(cas: 530-62-1Formula: C7H6N4O)

Di(1H-imidazol-1-yl)methanone(cas: 530-62-1) is a peptide coupling reagent,it is used in the synthesis of peptides. Reacts readily with carboxylic acids to form acyl imidazoles; subsequent reaction with amines to form amides goes smoothly.Formula: C7H6N4O

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem