Tag: 0-100

The author of 《Structure-based identification of novel CK2 inhibitors with a linear 2-propenone scaffold as anti-cancer agents》 were Qi, Xiaoqian; Zhang, Na; Zhao, Lijiao; Hu, Liming; Cortopassi, Wilian A.; Jacobson, Matthew P.; Li, Xitao; Zhong, Rugang. And the article was published in Biochemical and Biophysical Research Communications in 2019. HPLC of Formula: 7720-39-0 The author mentioned the following in the article:

Protein kinase CK2 has emerged as an attractive cancer therapeutic target. Previous studies have highlighted the challenge of optimizing CK2 ATP-competitive inhibitors that have low druggability due to their polycyclic ring scaffolds. Therefore the development of novel inhibitors with non-polycyclic scaffolds emerges as a promising strategy for drug discovery targeting CK2. In this current study, based on the similar predicted binding poses of the linear 2-propenone scaffold of isoliquiritigenin with that of the polycyclic inhibitor CX-4945, a series of 2-propenone derivatives containing an amine-substituted five-membered heterocycle and a benzoic acid were designed, synthesized and evaluated for their in vitro CK2 inhibition and anti-cancer activity. Compound 8b was found to be the most potent CK2 inhibitor (IC50 = 0.6 μM) with the anti-proliferative activity on HepG2 cancer cells (IC50 = 14 μM), compared to the activity of isoliquiritigenin (IC50 = 17 μM and 51 μM, resp.). Mol. docking was performed to understand the binding modes of the newly designed 2-propenone derivatives with CK2. Compound 8b formed the most favorable network of hydrogen bonds with both the hinge region and pos. area. Our results indicate that CK2 derivatives with a linear 2-propenone scaffold are promising candidates for anti-cancer drug discovery. After reading the article, we found that the author used 1H-Imidazol-2-amine(cas: 7720-39-0HPLC of Formula: 7720-39-0)

1H-Imidazol-2-amine(cas: 7720-39-0) belongs to anime. Reduction of nitro compounds, RNO2, by hydrogen or other reducing agents produces primary amines cleanly (i.e., without a mixture of products), but the method is mostly used for aromatic amines because of the limited availability of aliphatic nitro compounds. Reduction of nitriles and oximes (R2C=NOH) also yields primary amines.HPLC of Formula: 7720-39-0

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2022,Ozdemir, Mucahit; Koksoy, Baybars; Ceyhan, Deniz; Sayin, Koray; Ercag, Erol; Bulut, Mustafa; Yalcin, Bahattin published an article in Journal of Biomolecular Structure and Dynamics. The title of the article was 《Design and in silico study of the novel coumarin derivatives against SARS-CoV-2 main enzymes》.Computed Properties of C3H5N3 The author mentioned the following in the article:

The novel coronavirus (SARS-CoV-2) causes severe acute respiratory syndrome and can be fatal. In particular, antiviral drugs that are currently available to treat infection in the respiratory tract have been experienced, but there is a need for new antiviral drugs that are targeted and inhibit coronavirus. The antiviral properties of organic compounds found in nature, especially coumarins, are known and widely studied. Coumarins, which are also metabolites in many medicinal drugs, should be investigated as inhibitors against coronavirus due to their pharmacophore properties (low toxicity and high pharmacokinetic properties). The easy addition of substituents to the chem. structures of coumarins makes these structures unique for the drug design. This study focuses on factors that increase the mol. binding and antiviral properties of coumarins. Mol. docking studies have been carried out to five different proteins (Spike S1-subunit, NSP5, NSP12, NSP15, and NSP16) of the SARS-CoV-2 and two proteins (ACE2 and VKORC1) of human. The best binding scores for 17 coumarins were determined for NSP12 (NonStructural Protein-12). The highest score (-10.01 kcal/mol) in the coumarin group is 2-morpholinoethan-1-amine substituted coumarin. Mol. mechanics Poisson-Boltzmann surface area (MM-PBSA) analyses of selected ligand-protein complexes were performed. The binding energies in each 5 ns were calculated and it was found that the interaction between ligand and target protein were stable. In addition to this study using 1H-Imidazol-2-amine, there are many other studies that have used 1H-Imidazol-2-amine(cas: 7720-39-0Computed Properties of C3H5N3) was used in this study.

1H-Imidazol-2-amine(cas: 7720-39-0) belongs to anime. Reduction of nitro compounds, RNO2, by hydrogen or other reducing agents produces primary amines cleanly (i.e., without a mixture of products), but the method is mostly used for aromatic amines because of the limited availability of aliphatic nitro compounds. Reduction of nitriles and oximes (R2C=NOH) also yields primary amines.Computed Properties of C3H5N3

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《Biological evaluation of novel thiomaltol-based organometallic complexes as topoisomerase IIα inhibitors》 was published in JBIC, Journal of Biological Inorganic Chemistry in 2020. These research results belong to Legina, Maria S.; Nogueira, Juan J.; Kandioller, Wolfgang; Jakupec, Michael A.; Gonzalez, Leticia; Keppler, Bernhard K.. HPLC of Formula: 616-47-7 The article mentions the following:

Abstract: Topoisomerase IIα (topo2α) is an essential nuclear enzyme involved in DNA replication, transcription, recombination, chromosome condensation, and highly expressed in many tumors. Thus, topo2α-targeting has become a very efficient and well-established anticancer strategy. Herein, we investigate the cytotoxic and DNA-damaging activity of thiomaltol-containing ruthenium-, osmium-, rhodium- and iridium-based organometallic complexes in human mammary carcinoma cell lines by means of several biol. assays, including knockdown of topo2α expression levels by RNA interference. Results suggest that inhibition of topo2α is a key process in the cytotoxic mechanism for some of the compounds, whereas direct induction of DNA double-strand breaks or other DNA damage is mostly rather minor. In addition, mol. modeling studies performed for two of the compounds (with Ru(II) as the metal center) evinces that these complexes are able to access the DNA-binding pocket of the enzyme, where the hydrophilic environment favors the interaction with highly polar complexes. These findings substantiate the potential of these compounds for application as antitumor metallopharmaceuticals. Graphic abstract: [graphic not available: see fulltext] In the experiment, the researchers used 1-Methyl-1H-imidazole(cas: 616-47-7HPLC of Formula: 616-47-7)

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.HPLC of Formula: 616-47-7

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2019,Frontiers in Chemistry (Lausanne, Switzerland) included an article by Driowya, Mohsine; Guillot, Regis; Bonnet, Pascal; Guillaumet, Gerald. Application In Synthesis of 1H-Imidazol-2-amine. The article was titled 《Development of novel and efficient processes for the synthesis of 5-amino and 5-iminoimidazo[1,2-a]imidazoles via three-component reaction catalyzed by zirconium(IV) chloride》. The information in the text is summarized as follows:

The synthesis of new 5-amino and 5-iminoimidazo[1,2-a]imidazoles were developed through a three-component reaction of 1-unsubstituted 2-aminoimidazoles with various aldehydes and isocyanides mediated by zirconium(IV) chloride. The protocols were established considering the reactivity of the starting substrate, which varies depending on the presence of a substituent on the 2-aminoimidazole moiety. A library of new N-fused ring systems with wide structural diversification, novel synthetic and potential pharmacol. interest was obtained in moderate to good yields. After reading the article, we found that the author used 1H-Imidazol-2-amine(cas: 7720-39-0Application In Synthesis of 1H-Imidazol-2-amine)

1H-Imidazol-2-amine(cas: 7720-39-0) belongs to anime. Examples of direct uses of amines and their salts are as corrosion inhibitors in boilers and in lubricating oils (morpholine), as antioxidants for rubber and roofing asphalt (diarylamines), as stabilizers for cellulose nitrate explosives (diphenylamine), as protectants against damage from gamma radiation (diarylamines), as developers in photography (aromatic diamines), as flotation agents in mining, as anticling and waterproofing agents for textiles, as fabric softeners, in paper coating, and for solubilizing herbicides.Application In Synthesis of 1H-Imidazol-2-amine

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

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

《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

《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

In 2019,Journal of Photochemistry and Photobiology, A: Chemistry included an article by Park, Jumi; Shanmugasundaram, Kanagaraj; John, Jino C.; Choe, Youngson. Safety of 1-Methyl-1H-imidazole. The article was titled 《Aggregation induced emission small molecules for blue light-emitting electrochemical cells》. The information in the text is summarized as follows:

Two blue aggregation induced emission (AIE) luminogens containing phenanthroimidazole and tetraphenylethylene were designed and synthesized. The optical properties, thermal stability, electronic properties, electrochem. properties and electroluminescence of both the derivatives were studied. The phenanthroimidazole derivatives show good thermal stability and AIE properties. The non-doped light-emitting electrochem. cell devices were fabricated using these luminogens as light-emitting materials. The LEC devices show blue color emission centered at 474 nm with good performances. The results came from multiple reactions, including the reaction of 1-Methyl-1H-imidazole(cas: 616-47-7Safety of 1-Methyl-1H-imidazole)

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.Safety of 1-Methyl-1H-imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《The 2-Aminoimidazoles Inhibit Mycobacterium abscessus Biofilms in a Zinc-Dependent Manner》 was written by Belardinelli, Juan M.; Li, Wei; Martin, Kevin H.; Zeiler, Michael J.; Lian, Elena; Avanzi, Charlotte; Wiersma, Crystal J.; Nguyen, Tuan Vu; Angala, Bhanupriya; de Moura, Vinicius C. N.; Jones, Victoria; Borlee, Bradley R.; Melander, Christian; Jackson, Mary. Electric Literature of C3H5N3This research focused onzinc aminoimidazole Mycobacterium abscessus smegmatis infection biofilm growth; 2-aminoimidazoles; Mycobacterium abscessus; biofilm; nontuberculous mycobacteria; zinc. The article conveys some information:

Biofilm growth is thought to be a significant obstacle to the successful treatment of Mycobacterium abscessus infections. A search for agents capable of inhibiting M. abscessus biofilms led to our interest in 2-aminoimidazoles and related scaffolds, which have proven to display antibiofilm properties against a number of Gram-neg. and Gram-pos. bacteria, including Mycobacterium tuberculosis and Mycobacterium smegmatis. The screening of a library of 30 compounds led to the identification of a compound, AB-2-29, which inhibits the formation of M. abscessus biofilms with an IC50 (the concentration required to inhibit 50% of biofilm formation) in the range of 12.5 to 25μM. Interestingly, AB-2-29 appears to chelate zinc, and its antibiofilm activity is potentiated by the addition of zinc to the culture medium. Preliminary mechanistic studies indicate that AB-2-29 acts through a distinct mechanism from those reported to date for 2-aminoimidazole compounds In addition to this study using 1H-Imidazol-2-amine, there are many other studies that have used 1H-Imidazol-2-amine(cas: 7720-39-0Electric Literature of C3H5N3) was used in this study.

1H-Imidazol-2-amine(cas: 7720-39-0) belongs to anime. Amine, any member of a family of nitrogen-containing organic compounds that is derived, either in principle or in practice, from ammonia (NH3). Naturally occurring amines include the alkaloids, which are present in certain plants; the catecholamine neurotransmitters (i.e., dopamine, epinephrine, and norepinephrine); and a local chemical mediator, histamine, that occurs in most animal tissues.Electric Literature of C3H5N3

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem