Category: 16681-56-4

In 1974,Melendez, E.; Vilarrasa, J. published 《Diazo-, azo-, and azidoazoles. II. 2-Diazoimidazole》.Anales de Quimica (1968-1979) published the findings.Recommanded Product: 2-Bromo-1H-imidazole The information in the text is summarized as follows:

2-Diazoimidazole (I) and 3-diazo-s-triazole were prepared from the amines and their pKa determined I yielded 2-azidoimidazole, probably by dimerization and cleavage of the tetrazene. The experimental process involved the reaction of 2-Bromo-1H-imidazole(cas: 16681-56-4Recommanded Product: 2-Bromo-1H-imidazole)

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. Recommanded Product: 2-Bromo-1H-imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2002,Major, Dan T.; Laxer, Avital; Fischer, Bilha published 《Protonation Studies of Modified Adenine and Adenine Nucleotides by Theoretical Calculations and 15N NMR》.Journal of Organic Chemistry published the findings.Recommanded Product: 16681-56-4 The information in the text is summarized as follows:

The acid/base character of nucleobases affects phenomena such as self-association, interaction with metal ions, mol. recognition by proteins, and nucleic acid base-pairing. Therefore, the investigation of proton-transfer equilibrium of natural and synthetic nucleos(t)ides is of great importance to obtain a deeper understanding of these phenomena. For this purpose, a set of ATP prototypes was investigated using 15N NMR spectroscopy, and the corresponding adenine bases were investigated by theor. calculations 15N NMR measurements provided not only acidity constants but also information on the protonation site(s) on the adenine ring and regarding the ratio of the singly protonated species in equilibrium Substituents of different nature and position on the adenine ring did not change the preferred protonation site, which remained N1. However, for 2-thioether-ATP derivatives a mixed population of N1 and N7 singly protonated species was observed Reduction of basicity of 0.4-1 pKa units relative to ATP was also observed for all evaluated ATP derivatives, except for 2-Cl-ATP, for which Ka was ∼10,000-fold lower. To explain the substitution-dependent variations in the exptl. pKa values of the ATP analogs, gas-phase proton affinities (PA), ΔΔGhyd, and pKa values of the corresponding adenine bases were calculated using quantum mech. methods. The computed PA and ΔΔGhyd values successfully explained the exptl. pKa values. A computational procedure for the prediction of accurate pKa values was developed using d. functional theory and polarizable continuum model calculations In this procedure, we developed a set of parameters for the polarizable continuum model that was fitted to reproduce exptl. pKa values of nitrogen heterocycles. This method is proposed for the prediction of pKa values and protonation site(s) of purine analogs that have not been synthesized or analyzed. In the experimental materials used by the author, we found 2-Bromo-1H-imidazole(cas: 16681-56-4Recommanded Product: 16681-56-4)

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. Recommanded Product: 16681-56-4

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2018,Himabindu, Vittam; Parvathaneni, Sai Prathima; Rao, Vaidya Jayathirtha published 《PhI(OAc)2/NaX-mediated halogenation providing access to valuable synthons 3-haloindole derivatives》.New Journal of Chemistry published the findings.Reference of 2-Bromo-1H-imidazole The information in the text is summarized as follows:

A mild phenyliodine diacetate mediated method for selective chlorination, bromination, and iodination of indole C-H bonds using sodium halides NaX (X = Cl, Br, I) as a source for analogus halogenations has been described. The combination of sodium halide and phenyliodine diacetate provides an invincible system for halogenation of indoles I (R = H, F, Cl, Br, I, NO2, CH3, OCH3; R1 = H, CH3, C6H5; R2 = H, CH3, C6H5, C6H5CH2; X = H). This protocol was compatible with a wide array of indole substrates and provides straight forward access to potential halogenated arenes I (X = Cl, Br, I). In the experiment, the researchers used many compounds, for example, 2-Bromo-1H-imidazole(cas: 16681-56-4Reference of 2-Bromo-1H-imidazole)

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. Reference of 2-Bromo-1H-imidazole

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

The author of 《Mechanistic studies of the influence of halogen substituents on the corrosion inhibitive efficiency of selected imidazole molecules: A synergistic computational and experimental approach》 were Abdulazeez, Ismail; Zeino, Aasem; Kee, Choon Wee; Al-Saadi, Abdulaziz A.; Khaled, Mazen; Wong, Ming Wah; Al-Sunaidi, Abdullah A.. And the article was published in Applied Surface Science in 2019. COA of Formula: C3H3BrN2 The author mentioned the following in the article:

Adsorption behavior and corrosion inhibition mechanism of imidazole and its C2-halogenated analogs (with the halogen atoms being Cl, Br or I) on Fe(1 0 0) surface were investigated by DFT periodic slab calculations and electrochem. techniques. DFT calculations revealed that C2-halogenated imidazoles adopt the tilted conformation on Fe surface with a significantly lengthened C-halogen bond and readily undergo facile dissociation at the halo-substitution with calculated adsorption energies -3.95, -3.76 and -3.48 eV for 2-I-Imz, 2-Br-Imz and 2-Cl-Imz, resp. Electrochem. evaluations supported with surface characterization studies showed that the inhibitor mols. adsorb onto mild steel with 2-I-Imz having the highest inhibition efficiency of 83.5%. The trend of observed inhibition efficiencies correlates with adsorption energies and kinetic behavior predicted by the MD approach. The strength of adsorption in the order I >Br > Cl. The present study therefore provides a thorough mechanistic understanding of the role halogen substituents could play on the corrosion inhibitive performance of small organic systems. In addition to this study using 2-Bromo-1H-imidazole, there are many other studies that have used 2-Bromo-1H-imidazole(cas: 16681-56-4COA of Formula: C3H3BrN2) 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. COA of Formula: C3H3BrN2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《Heteroarylamide smoothened inhibitors: Discovery of N-[2,4-dimethyl-5-(1-methylimidazol-4-yl)phenyl]-4-(2-pyridylmethoxy)benzamide (AZD8542) and N-[5-(1H-imidazol-2-yl)-2,4-dimethyl-phenyl]-4-(2- pyridylmethoxy)benzamide (AZD7254)》 was published in Bioorganic & Medicinal Chemistry in 2020. These research results belong to Yang, Bin; Hird, Alexander W.; Bodnarchuk, Michael S.; Zheng, Xiaolan; Dakin, Les; Su, Qibin; Daly, Kevin; Godin, Robert; Hattersley, Maureen M.; Brassil, Patrick; Redmond, Sean; John Russell, Daniel; Janetka, James W.. Category: imidazoles-derivatives The article mentions the following:

Aberrant hedgehog (Hh) pathway signaling is implicated in multiple cancer types and targeting the Smoothened (SMO) receptor, a key protein of the Hh pathway, has proven effective in treating metastasized basal cell carcinoma. Our lead optimization effort focused on a series of heteroarylamides. We observed that a Me substitution ortho to the heteroaryl groups on an aniline core significantly improved the potency of this series of compounds These findings predated the availability of SMO crystal structure in 2013. Here we retrospectively applied quantum mechanics calculations to demonstrate the o-Me substitution favors the bioactive conformation by inducing a dihedral twist between the heteroaryl rings and the core aniline. The o-Me also makes favorable hydrophobic interactions with key residue side chains in the binding pocket. From this effort, two compounds (AZD8542 and AZD7254) showed excellent pharmacokinetics across multiple preclin. species and demonstrated in vivo activity in abrogating the Hh paracrine pathway as well as anti- tumor effects. After reading the article, we found that the author used 2-Bromo-1H-imidazole(cas: 16681-56-4Category: imidazoles-derivatives)

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. Category: imidazoles-derivatives

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2022,Kimpel, Joost; He, Waner; Cheng, Ye; Michinobu, Tsuyoshi published an article in Journal of Organic Chemistry. The title of the article was 《A Route to Conjugated Monomers and Polymers Incorporating 2,5-Connected Oxazole in the Backbone》.Safety of 2-Bromo-1H-imidazole The author mentioned the following in the article:

Joining of imidazole, pyrimidine, and oxazole to other conjugated core units was explored in pursuit of yielding monomers to synthesize organic semiconducting polymers. Regioregular oxazole-flanked thiophene, benzothiadiazole, naphthalene diimide (NDI), and thienopyrroledione (TPD) were successfully isolated via stannylation of oxazole and the Stille coupling of brominated core units (overall yields ranging from ca. 40 to 60%). From subsequent direct arylation polymerization, NDI/oxazole/TPD-containing regioisomeric polymers were obtained with optical and electrochem. orbital energetics in the semiconducting regime. The experimental part of the paper was very detailed, including the reaction process of 2-Bromo-1H-imidazole(cas: 16681-56-4Safety of 2-Bromo-1H-imidazole)

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. Safety of 2-Bromo-1H-imidazole

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

In 2008,Primas, Nicolas; Bouillon, Alexandre; Lancelot, Jean-Charles; Sopkova-de Oliveira Santos, Jana; Lohier, Jean-Francois; Rault, Sylvain published 《A new methodology to prepare 2-halogenoimidazoles via a N-THP protection》.Letters in Organic Chemistry published the findings.Recommanded Product: 16681-56-4 The information in the text is summarized as follows:

A straightforward access to 2-halogenoimidazoles via a N-THP protection was described in this paper. The N-THP protecting group is easily introduced by reaction of 2-chloro-THP with imidazole. Lithiation followed by reaction with an appropriate electrophile affords 2-halogeno N-THP derivatives The THP protecting group is then cleaved to get the title compounds in good to high yields. The structures of the compounds were confirmed by x-ray diffraction anal. (data not given). In the part of experimental materials, we found many familiar compounds, such as 2-Bromo-1H-imidazole(cas: 16681-56-4Recommanded Product: 16681-56-4)

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. Recommanded Product: 16681-56-4

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Recommanded Product: 16681-56-4In 2008 ,《Rescoring Docking Hit Lists for Model Cavity Sites: Predictions and Experimental Testing》 appeared in Journal of Molecular Biology. The author of the article were Graves, Alan P.; Shivakumar, Devleena M.; Boyce, Sarah E.; Jacobson, Matthew P.; Case, David A.; Shoichet, Brian K.. The article conveys some information:

Mol. docking computationally screens thousands to millions of organic mols. against protein structures, looking for those with complementary fits. Many approximations are made, often resulting in low “”hit rates.””. A strategy to overcome these approximations is to rescore top-ranked docked mols. using a better but slower method. One such is afforded by mol. mechanics-generalized Born surface area (MM-GBSA) techniques. These more phys. realistic methods have improved models for solvation and electrostatic interactions and conformational change compared to most docking programs. To investigate MM-GBSA rescoring, the authors reranked docking hit lists in three small buried sites: a hydrophobic cavity that binds apolar ligands, a slightly polar cavity that binds aryl and hydrogen-bonding ligands, and an anionic cavity that binds cationic ligands. These sites are simple; consequently, incorrect predictions can be attributed to particular errors in the method, and many likely ligands may actually be tested. In retrospective calculations, MM-GBSA techniques with binding-site minimization better distinguished the known ligands for each cavity from the known decoys compared to the docking calculation alone. This encouraged us to test rescoring prospectively on mols. that ranked poorly by docking but that ranked well when rescored by MM-GBSA. A total of 33 mols. highly ranked by MM-GBSA for the three cavities were tested exptl. Of these, 23 were observed to bind-these are docking false negatives rescued by rescoring. The 10 remaining mols. are true negatives by docking and false positives by MM-GBSA. X-ray crystal structures were determined for 21 of these 23 mols. In many cases, the geometry prediction by MM-GBSA improved the initial docking pose and more closely resembled the crystallog. result; yet in several cases, the rescored geometry failed to capture large conformational changes in the protein. Intriguingly, rescoring not only rescued docking false positives, but also introduced several new false positives into the top-ranking mols. The authors consider the origins of the successes and failures in MM-GBSA rescoring in these model cavity sites and the prospects for rescoring in biol. relevant targets. The experimental process involved the reaction of 2-Bromo-1H-imidazole(cas: 16681-56-4Recommanded Product: 16681-56-4)

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. Recommanded Product: 16681-56-4

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 1978,Kirk, Kenneth L. published 《Facile synthesis of 2-substituted imidazoles》.Journal of Organic Chemistry published the findings.HPLC of Formula: 16681-56-4 The information in the text is summarized as follows:

Imidazoles I (R = H, R1 = Br, iodo, Cl, Me, CO2Et, CHO, NH2) were prepared by treating 1-trityl-2-lithioimidazole (I, R = Ph3C, R1 = Li) with an appropriate electrophile followed by detritylation with acid. The experimental process involved the reaction of 2-Bromo-1H-imidazole(cas: 16681-56-4HPLC of Formula: 16681-56-4)

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