Category: imidazoles-derivatives

Application In Synthesis of 5-((3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acidIn 2020 ,《Strong Adverse Contribution of Conformational Dynamics to Streptavidin-Biotin Binding》 was published in Journal of Physical Chemistry B. The article was written by Sarter, Mona; Niether, Doreen; Koenig, Bernd W.; Lohstroh, Wiebke; Zamponi, Michaela; Jalarvo, Niina H.; Wiegand, Simone; Fitter, Joerg; Stadler, Andreas M.. The article contains the following contents:

Mol. dynamics plays an important role for the biol. function of proteins. For protein ligand interactions, changes of conformational entropy of protein and hydration layer are relevant for the binding process. Quasielastic neutron scattering (QENS) was used to investigate differences in protein dynamics and conformational entropy of ligand-bound and ligand-free streptavidin. Protein dynamics were probed both on the fast picosecond time scale using neutron time-of-flight spectroscopy and on the slower nanosecond time scale using high-resolution neutron backscattering spectroscopy. We found the internal equilibrium motions of streptavidin and the corresponding mean square displacements (MSDs) to be greatly reduced upon biotin binding. On the basis of the observed MSDs, we calculated the difference of conformational entropy ΔSconf of the protein component between ligand-bound and ligand-free streptavidin. The rather large neg. ΔSconf value (-2 kJ mol-1 K-1 on the nanosecond time scale) obtained for the streptavidin tetramer seems to be counterintuitive, given the exceptionally high affinity of streptavidin-biotin binding. Literature data on the total entropy change ΔS observed upon biotin binding to streptavidin, which includes contributions from both the protein and the hydration water, suggest partial compensation of the unfavorable ΔSconf by a large pos. entropy gain of the surrounding hydration layer and water mols. that are displaced during ligand binding. The experimental process involved the reaction of 5-((3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid(cas: 58-85-5Application In Synthesis of 5-((3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid)

5-((3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid(cas: 58-85-5) may be used to elute proteins from avidin/streptavidin resins. It has been used for culturing of oligodendrocytes.Application In Synthesis of 5-((3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid And it has been used as a vitamin supplement for the growth of Bacillus species.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Related Products of 7720-39-0In 2021 ,《A scaffold hopping strategy to generate new aryl-2-amino pyrimidine MRSA biofilm inhibitors》 was published in RSC Medicinal Chemistry. The article was written by Weig, Alexander W.; Barlock, Samantha L.; O’Connor, Patrick M.; Marciano, Orry M.; Smith, Richard; Ernst, Robert K.; Melander, Roberta J.; Melander, Christian. The article contains the following contents:

Infections that stem from bacterial biofilms are difficult to eradicate. Within a biofilm state, bacteria are upwards of 1000-fold more resistant to conventional antibiotics, necessitating the development of alternative approaches to treat biofilm-based infections. One such approach is the development of small mol. adjuvants that can inhibit/disrupt bacterial biofilms. When such mols. are paired with conventional antibiotics, these dual treatments present a combination approach to eradicate biofilm-based infections. Previously, we have demonstrated that small mols. containing either a 2-amino pyrimidine (2-AP) or a 2-aminoimidazole (2-AI) heterocycle are potent anti-biofilm agents. Herein, we now report a scaffold hopping strategy to generate new aryl 2-AP analogs that inhibit biofilm formation by methicillin-resistant Staphylococcus aureus (MRSA). These mols. also suppress colistin resistance in colistin resistant Klebsiella pneumoniae, lowering the min. inhibitory concentration (MIC) by 32-fold. The results came from multiple reactions, including the reaction of 1H-Imidazol-2-amine(cas: 7720-39-0Related Products of 7720-39-0)

1H-Imidazol-2-amine(cas: 7720-39-0) belongs to anime. Reaction with nitrous acid (HNO2), which functions as an acylating agent that is a source of the nitrosyl group (―NO), converts aliphatic primary amines to nitrogen and mixtures of alkenes and alcohols corresponding to the alkyl group in a complex process. This reaction has been used for analytical determination of primary amino groups in a procedure known as the Van Slyke method.Related Products of 7720-39-0

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Product Details of 7720-39-0In 2017 ,《Synthesis, dyeing performance on polyester fiber and antimicrobial studies of some novel pyrazolotriazine and pyrazolyl pyrazolone azo dyes》 appeared in Arabian Journal of Chemistry. The author of the article were Rizk, Hala F.; Ibrahim, Seham A.; El-Borai, Mohammed A.. The article conveys some information:

The 5-amino-4-heterylazo-3-phenyl-1H-pyrazoles (2a-d) were diazotized and coupled with malononitrile to give pyrazoloazo malononitrile which by heating in glacial acetic acid gave novel pyrazolo[5,1-c][1,2,4]triazine dyes (3a-d). Also, some diazopyrazolyl pyrazolone dyes (4a-h) were synthesized by diazotization of 2a-d and coupled with some pyrazolone derivatives The structure of the synthesized dyes was determined by elemental anal. and spectral data. All the synthesized compounds were applied as disperse dyes and their dyeing performance on polyester fabric was studied. The fastness and colorimetric properties were measured. The results revealed that the monoazo dyes have good fastness and good to moderate affinity to polyester fabric than diazo dyes. In addition, the synthesized dyes were screened for their antimicrobial activities against Staphylococcus aureus, Pseudomonas aeruginosa (Gram pos.), Bacillus subtitles, Escherichia coli (Gram neg.) and Candida albicans, Aspergillus niger (Fungi). The results revealed that most of the prepared dyes have high antibacterial activity. In the part of experimental materials, we found many familiar compounds, such as 1H-Imidazol-2-amine(cas: 7720-39-0Product Details of 7720-39-0)

1H-Imidazol-2-amine(cas: 7720-39-0) belongs to anime. Aniline, ethanolamines, and several other amines are major industrial commodities used in making rubber, dyes, pharmaceuticals, and synthetic resins and fibres and for a host of other applications. Most of the numerous methods for the preparation of amines may be broadly divided into two groups: (1) chemical reduction (replacement of oxygen with hydrogen atoms in the molecule) of members of several other classes of organic nitrogen compounds and (2) reactions of ammonia or amines with organic compounds.Product Details of 7720-39-0

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Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Related Products of 934-32-7In 2020 ,《Synthesis, spectral, DFT calculation, sensor, antimicrobial and DNA binding studies of Co(II), Cu(II) and Zn(II) metal complexes with 2-amino benzimidazole Schiff base》 appeared in Journal of Molecular Structure. The author of the article were Kalarani, R.; Sankarganesh, M.; Kumar, G. G. Vinoth; Kalanithi, M.. The article conveys some information:

Synthesis of Co(II), Cu(II) and Zn(II) complexes of bidentate Schiff base ligand (L) 2-(1H-Benzo [d]imidazole-4-ylimmino) Me phenol is presented here. The Schiff base and its metal (II) complexes were characterized by micro anal. and spectral techniques such as AAS, UV-visible, FTIR, NMR, molar conductance and magnetic moment measurements. Molar conductance reveals the non electrolytic nature of the complexes. From the anal. and spectral anal., octahedral geometry is proposed to the synthesized metal (II) complexes. DFT calculations were done for Schiff base and metal (II) complexes to confirm the geometry of the complexes. The sensor activity of Schiff base towards calcium and magnesium ions was studied by absorption spectroscopy. Electrochem. nature of the copper(II) complex was studied by cyclic voltammetry technique and indicates the reversible nature of Cu(II)/Cu(I) couple. The antimicrobial activity of the Schiff base and its metal (II) complexes showed good potency against various microorganism such as Escherichia coli, Staphylococcus aureus, Pseudomonas aeruginosa and Candida albicans. DNA binding properties of the metal complexes were studied using UV-visible absorption spectroscopy and found that the Cu(II) complex has more binding ability than L, Co(II) and Zn(II) complexes. After reading the article, we found that the author used 1H-Benzo[d]imidazol-2-amine(cas: 934-32-7Related Products of 934-32-7)

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.Related Products of 934-32-7

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Zaoui, Tayeb; Debdab, Mansour; Haddad, Boumediene; Belarbi, El Habib; Chaker, Yassine; Rahmouni, Mustapha; Bresson, Serge; Baeten, Vincent published an article in 2021. The article was titled 《Synthesis, vibrational and thermal properties of new functionalized 1-(2-hydroxyethyl)-3-methylimidazolium dihydrogenophosphate ionic liquid》, and you may find the article in Journal of Molecular Structure.COA of Formula: C4H6N2 The information in the text is summarized as follows:

Very recently, the hydroxyl-functionalized ionic liquids have gained immense interest and were developed for a number of interesting applications. In this work and for the first time new hydroxyl-functionalized namely; 1-(hydroxyethyl)-3-methylimidazolium dihydrogenophosphate ionic liquid [EtOHMIM+][H2PO4-] was synthesized. The synthesis is based on an alkylation reaction of 1-methylimidazole followed by anion exchange. The obtained IL is characterized by 1H-NMR, 13C-NMR spectroscopy. Their exptl. vibrational spectroscopy have been investigated using IR and Raman spectroscopy, based on the IR (IR) and Raman spectroscopies results, complete vibrational assignments have been performed. Besides, thermal properties of this hydroxyl-functionalized IL were investigated by using following techniques, (i) thermogravimetric anal. (TGA) and derivative thermogravimetry (DTG) in the temperature range from 20 to 600°, (ii) differential scanning calorimetry (DSC) from-100° to 200°. The thermogravimetry anal. was coupled with mass spectrometry in order to assess the influence of anion on the measured property. In addition to this study using 1-Methyl-1H-imidazole, there are many other studies that have used 1-Methyl-1H-imidazole(cas: 616-47-7COA of Formula: C4H6N2) was used in this study.

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.COA of Formula: C4H6N2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《Nanosilk increases the strength of diabetic skin and delivers CNP-miR146a to improve wound healing》 was written by Niemiec, Stephen M.; Louiselle, Amanda E.; Hilton, Sarah A.; Dewberry, Lindel C.; Zhang, Liping; Azeltine, Mark; Xu, Junwang; Singh, Sushant; Sakthivel, Tamil S.; Seal, Sudipta; Liechty, Kenneth W.; Zgheib, Carlos. Electric Literature of C7H6N4O And the article was included in Frontiers in Immunology in 2020. The article conveys some information:

Diabetes mellitus is a metabolic disorder associated with properties and an increased risk of chronic wounds due to sustained pro-inflammatory response. We have previously of radical scavenging cerium oxide nanoparticles (CNP) conjugated to the anti-inflammatory microRNA (miR)-146a, termed CNP-miR146a, improves diabetic wound healing by synergistically lowering oxidative stress and inflammation, and we sought to evaluate this treatment in a topical application. Silk fibroin is a biocompatible polymer that can be fabricated into nanostructures, termed nanosilk. Nanosilk is characterized by a high strength-to-d. ratio and an ability to exhibit strain hardening. We therefore hypothesized that nanosilk would strengthen the biomech. properties of diabetic skin and that nanosilk solution could effectively deliver CNP-miR146a to improve diabetic wound healing. The ability of nanosilk to deliver CNP-miR146a to murine diabetic wounds and improve healing was assessed by the rate of wound closure and inflammatory gene expression, as well as histol. anal. The effect of nanosilk on the properties of human diabetic skin was evaluated by testing the biomech. properties following topical application of a 7% nanosilk solution Diabetic murine wounds treated with topical nanosilk and CNP-miR146a healed by day 14.5 compared to day 16.8 in controls (p = 0.0321). Wounds treated with CNP-miR146a had higher collagen levels than controls (p = 0.0126) with higher pro-fibrotic gene expression of TGFβ-1 (p = 0.0092), Col3α1 (p = 0.0369), and Col1α2 (p = 0.0454). Treatment with CNP-miR146a lowered pro-inflammatory gene expression of lL-6 (p = 0.0488) and lL-8 (p = 0.0009). Treatment of human diabetic skin with 7% nanosilk solution resulted in significant improvement in maximum load and modulus (p < 0.05). Nanosilk solution is able to strengthen the biomech. properties of diabetic skin and can successfully deliver CNP-miR146a to improve diabetic wound healing through inhibition of pro-infl ammatory gene signaling and promotion of pro-fi brotic processes. In the experimental materials used by the author, we found Di(1H-imidazol-1-yl)methanone(cas: 530-62-1Electric Literature of C7H6N4O)

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.Electric Literature of C7H6N4O

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

HPLC of Formula: 16681-56-4In 2012 ,《Fluorous Oxime Palladacycle: A Precatalyst for Carbon-Carbon Coupling Reactions in Aqueous and Organic Medium》 appeared in Journal of Organic Chemistry. The author of the article were Susanto, Woen; Chu, Chi-Yuan; Ang, Wei Jie; Chou, Tzyy-Chao; Lo, Lee-Chiang; Lam, Yulin. The article conveys some information:

To facilitate precatalyst recovery and reuse, fluorous, oxime-based palladacycle I was developed, and it was demonstrated that it is a very efficient and versatile precatalyst for a wide range of carbon-carbon bond formation reactions (Suzuki-Miyaura, Sonogashira, Stille, Heck, Glaser-type, and Kumada) in either aqueous or organic medium under microwave irradiation Palladacycle I could be recovered through F-SPE in various coupling reactions with recovery ranging from 84 to 95% for the first cycle. Inductively coupled plasma optical emission spectrometry (ICP-OES) analyses of the Pd content in the crude product from each class of transformation indicated extremely low levels of leaching and the palladacycle could be reused four to five times without significant loss of activity.2-Bromo-1H-imidazole(cas: 16681-56-4HPLC of Formula: 16681-56-4) was used in this study.

2-Bromo-1H-imidazole(cas: 16681-56-4) is a member of imidazole. Its exclusive structural characteristics with enviable electron-rich features are favorable for imidazole-based fused heterocycles to bind efficiently with an array of enzymes and receptors in biological systems through various weak interactions like hydrogen bonds, ion-dipole, cation-π, π-π stacking, coordination, Van der Waals forces, hydrophobic effects, etc., and therefore they demonstrate widespread bioactivities. HPLC of Formula: 16681-56-4

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Computed Properties of C7H5ClN2In 2022 ,《Cross dehydrogenation coupling reaction of purine derivatives with thioethers》 appeared in Organic & Biomolecular Chemistry. The author of the article were Li, Xinjie; Qi, Peng; Du, Hongguang. The article conveys some information:

A metal-free cross-dehydrogenation coupling method was established to synthesize N9 alkylated purine derivatives Using PhI(OAc)2 as the oxidant, versatile thioethers were successfully employed as alkylation reagents. Under the optimized conditions, a variety of alkylated purine derivatives and other aromatic N-heterocycles were obtained in moderate to good yields. The regioselectivity of this protocol which involves the reaction of unsym. thioethers with purine derivatives was also studied. 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: 4857-06-1Computed Properties of C7H5ClN2) was used in this study.

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.Computed Properties of C7H5ClN2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Electric Literature of C4H6N2In 2020 ,《Novel bio-based epoxy thermosets based on triglycidyl phloroglucinol prepared by thiol-epoxy reaction》 appeared in Polymers (Basel, Switzerland). The author of the article were Guzman, Dailyn; Santiago, David; Serra, Angels; Ferrando, Francesc. The article conveys some information:

The pure trifunctional glycidyl monomer from phloroglucinol (3EPO-Ph) was synthesized and used as feedstock in the preparation of novel bio-based thermosets by thiol-epoxy curing. The monomer was crosslinked with different com. available thiols: tetrafunctional thiol (PETMP), trifunctional thiol (TTMP) and an aromatic dithiol (TBBT) as curing agents in the presence of a base. As catalyst, two different com. catalysts: LC-80 and 4-(N, N-dimethylamino) pyridine (DMAP) and a synthetic catalyst, imidazolium tetraphenylborate (base generator, BG) were employed. The curing of the reactive mixtures was studied by using DSC and the obtained materials by means of differential scanning calorimetry (DSC), thermogravimetric anal. (TGA) and dynamic mech. thermal anal. (DMTA). The results revealed that only the formulations catalyzed by BG showed a latent character. Already prepared thermosetting materials showed excellent thermal, thermomech. and mech. properties, with a high transparency. In addition to that, when compared with the diglycidyl ether of bisphenol A (DGEBA)/PETMP material, the thermosets prepared from the triglycidyl derivative of phloroglucinol have better final characteristics and therefore this derivative can be considered as a partial or total renewable substitute of DGEBA in technol. applications. In the part of experimental materials, we found many familiar compounds, such as 1-Methyl-1H-imidazole(cas: 616-47-7Electric Literature of C4H6N2)

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.Electric Literature of C4H6N2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2022,Stitou, Mourad; Toufik, Hamid; Akabli, Taoufik; Lamchouri, Fatima published an article in Journal of Molecular Modeling. The title of the article was 《Virtual screening of PEBP1 inhibitors by combining 2D/3D-QSAR analysis, hologram QSAR, homology modeling, molecular docking analysis, and molecular dynamic simulations》.Category: imidazoles-derivatives The author mentioned the following in the article:

Human phosphatidylethanolamine binding protein 1 (hPEBP1) is a novel target affecting many cellular signaling pathways involved in the formation of metastases. It can be used in the treatment of many cases of cancer. For these reasons, pharmaceutical companies use computational approaches, including multi-QSAR (2D, 3D, and hologram QSAR) anal., homol. modeling, mol. docking anal., and mol. dynamic simulations, to speed up the drug discovery process. In this paper, QSAR modeling was conducted using two quantum chem. optimization methods (AM1 and DFT levels). As per PLS results, we found that the DFT/B3LYP method presents high predictability according to 2D-QSAR, CoMFA, CoMSIA, and hologram QSAR studies, with Q2 of 0.81, 0.67, 0.79, and 0.67, and external power with R2pred of 0.78, 0.58, 0.66, and 0.56, resp. This result has been validated by CoMFA/CoMSIA graphics, which suggests that electrostatic fields combined with hydrogen bond donor/acceptor fields are beneficial to the antiproliferative activity. While the hologram QSAR models show the contributions of each fragment in improving the activity. The results from QSAR analyses revealed that ursolic acids with heterocyclic rings could improve the activities. Ramachandran plot validated the modeled PEBP1 protein. Mol. docking and MD simulations revealed that the hydrophobic and hydrogen bond interactions are dominant in the PEBP1′s pocket. These results were used to predict in silico structures of three new compounds with potential anticancer activity. Similar mol. docking stability studies and mol. dynamics simulations were conducted. The results came from multiple reactions, including the reaction of 1-Methyl-1H-imidazole(cas: 616-47-7Category: imidazoles-derivatives)

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.Category: imidazoles-derivatives

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem