Category: 5805-39-0

Computed Properties of C13H11N3In 2016, Chhajed, Santosh S.;Upasani, Chandrashekhar D. published 《Synthesis and in-silico molecular docking simulation of 3-chloro-4-substituted-1-(2-(1H-benzimidazol-2-yl)phenyl))azetidin-2-ones as novel analgesic anti-inflammatory agent》. 《Arabian Journal of Chemistry》published the findings. The article contains the following contents:

Synthesis of novel 1-(2-(1H-benzimidazol-2-yl)phenyl)-3-chloro-4-arylazetidin-2-ones I (R = Ph, 4-HOC₆H₄, 2-ClC₆H₄, etc.) is reported. All these compounds were characterized by IR, mass, ¹H NMR and elemental anal. The newly synthesized compounds were screened for their analgesic and anti-inflammatory activities on acetic acid-induced writhing in mice and carrageenan induced paw edema in rats. The compound I (R = 2-O₂NC₆H₄) was found to have potent analgesic (46% at 20 mg/kg b.w) and anti-inflammatory (66.5% at 20 mg/kg b.w) activities when compared to standard drug Nimesulide (20 mg/kg b.w). To check binding modes and binding affinity, synthesized compounds were docked into the active sites of enzyme COX-II. Compounds I (R = Ph, 2-HOC₆H₄, 4-MeOC₆H₄) were found to have good affinity for COX-II. A good correlation was found between in-silico docking anal. and in biol. screening.2-(1H-Benzo[d]imidazol-2-yl)aniline (cas: 5805-39-0) were involved in the experimental procedure.

2-(1H-Benzo[d]imidazol-2-yl)aniline(cas:5805-39-0 Computed Properties of C13H11N3) is a chemical reagent used in the synthesis of small molecule inhibitors targeting ubiquitin-like domains for treatments of diseases caused by the cellular accumulation of damaged proteins.

Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Today I want to share an article with you. The article is 《DMSO as C1 Source under Metal- and Oxidant-free Conditions: NH₄SCN-mediated Synthesis of Quinazolinone and Dihydroquinazolin-4(1H)-one Derivatives》,you can find this article in 《Asian Journal of Organic Chemistry》. The following contents are mentioned:

A new and efficient strategy for the development of quinazolinones I(R = iso-Pr, cyclohexyl, 4-methylphenyl, thiophen-2-ylmethyl, etc.) and dihydroquinazolin-4(1H)-ones II (R¹ = Me, Ph, Bn, etc.; R² = H, Bu, 4-chlorophenyl, pyridin-4-yl, etc.) promoted by ammonium thiocyanate is reported. Most remarkably, DMSO is used for solvent as well as methine and bridged methylene source to obtain a wide variety of new N,N-disubstituted 2,3-dihydroquinazolin-4(1H)-ones II. This transformation possesses significant advantages such as metal- and oxidant-free, non-acidic medium, simple condition, good functional group tolerance and broad substrate scope. Besides, this process could be readily scaled up and applied to drug mols. synthesis. To complete the study, the researchers used 2-(1H-Benzo[d]imidazol-2-yl)aniline (cas: 5805-39-0) .

2-(1H-Benzo[d]imidazol-2-yl)aniline(cas:5805-39-0 Formula: C13H11N3) is a chemical reagent used in the synthesis of small molecule inhibitors targeting ubiquitin-like domains for treatments of diseases caused by the cellular accumulation of damaged proteins.

Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Kaur, Narinder;Singh, Jasminder;Raj, Pushap;Singh, Narinder;Singh, Harpreet;Sharma, Sanjeev K.;Kim, Deuk Young;Kaur, Navneet published 《ZnO decorated with organic nanoparticles based sensor for the ratiometric selective determination of mercury ions》 in 2016. The article was appeared in 《New Journal of Chemistry》. They have made some progress in their research.Computed Properties of C13H11N3 The article mentions the following:

ZnO nanoparticles decorated with organic receptor, 2-[[[2-(1H-benzimidazol-2-yl)phenyl]imino]methyl]phenol, were prepared and the resultant compound (N1) was studied for its metal recognition ability. N1 is selective for mercury ions (Hg²⁺) in a DMSO/water mixture in a ratio of 7 : 3 and possessed no interference from any of the potential interferent metal ions. The crystal size and morphol. of ZnO was characterized using various spectroscopic and diffraction techniques like SEM, XRD, dynamic light scattering (DLS), etc. Surface decoration of the ZnO with receptor 1 is confirmed using NMR spectroscopy. On successive additions of Hg²⁺ ions, the fluoroscence intensity of the compound was quenched at 427 nm with enhancement of the peak at 482 nm, which led to ratiometric sensor development for the recognition of mercury ions having a detection limit of 0.19 nM. The prepared receptor was also tested for real sample application by preparing a known concentration of Hg²⁺ solution and it was found to respond well with an accuracy >90%. To complete the study, the researchers used 2-(1H-Benzo[d]imidazol-2-yl)aniline (cas: 5805-39-0) .

2-(1H-Benzo[d]imidazol-2-yl)aniline(cas:5805-39-0 Computed Properties of C13H11N3) is a chemical reagent used in the synthesis of small molecule inhibitors targeting ubiquitin-like domains for treatments of diseases caused by the cellular accumulation of damaged proteins.

Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Computed Properties of C13H11N3《Synthesis, characterization and biological evaluation of benzimidazole derivatives》 was published in 2018. The authors were Anand, Keshav;Wakode, Sharad, and the article was included in《International Journal of Pharmaceutical Sciences and Research》. The author mentioned the following in the article:

A series of benzimidazole derivatives were synthesized by a single step process by reacting o-phenylenediamine and benzoic acid. The purity and structure confirmation of the synthesized compounds were done by TLC and ¹H-NMR. The compounds were evaluated for anti-microbial, anti-fungal and antioxidant activity. And 2-(1H-Benzo[d]imidazol-2-yl)aniline (cas: 5805-39-0) was used in the research process.

2-(1H-Benzo[d]imidazol-2-yl)aniline(cas:5805-39-0 Computed Properties of C13H11N3) is a chemical reagent used in the synthesis of small molecule inhibitors targeting ubiquitin-like domains for treatments of diseases caused by the cellular accumulation of damaged proteins.

Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Joshi, P. P.;Dodkey, A. M. published 《Synthesis and characterization of new substituted 2-(2-aryl-diazenyl)-H-benzo(d)-imidazole derivatives》. The research results were published in《World Journal of Pharmaceutical Research》 in 2017.Related Products of 5805-39-0 The article conveys some information:

A series of new substituted 2-(2-aryl-diazenyl)benzo(d)imidazoles I [R = H, Cl, CH₃; R¹ = H, Cl, NO₂; Ar = 2-HOC₆H₄, 2-hydroxy-1-naphthyl] was synthesized via coupling reaction of substituted 2-[(1H)-benzo(d)imidazol-2-yl]anilines with 2-naphthol and phenol. The structures of the products were confirmed from ¹H-NMR, ¹³C-NMR and IR spectra. To complete the study, the researchers used 2-(1H-Benzo[d]imidazol-2-yl)aniline (cas: 5805-39-0) .

2-(1H-Benzo[d]imidazol-2-yl)aniline(cas:5805-39-0 Related Products of 5805-39-0) is a chemical reagent used in the synthesis of small molecule inhibitors targeting ubiquitin-like domains for treatments of diseases caused by the cellular accumulation of damaged proteins.

Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Kanlayakan, Narissa;Kerdpol, Khanittha;Prommin, Chanatkran;Salaeh, Rusrina;Chansen, Warinthon;Sattayanon, Chanchai;Kungwan, Nawee published 《Effects of different proton donor and acceptor groups on excited-state intramolecular proton transfers of amino-type and hydroxy-type hydrogen-bonding molecules: theoretical insights》. The research results were published in《New Journal of Chemistry》 in 2017.Related Products of 5805-39-0 The article conveys some information:

The effect of proton donors, namely NH-type and OH-type, on the excited-state intramol. proton transfer (ESIPT) of hydrogen-bonding (H-bond) mols. was investigated using d. functional theory (DFT) and time-dependent DFT (TD-DFT) at the B3LYP level with the TZVP basis set. The important parameters for bond distances involved in the intramol. H-bond revealed that H-bonds of OH-type are stronger than those of NH-type and this was supported by the greater red-shift of O-H vibrational modes in the excited-state. The potential energy surfaces along the proton transfer (PT) reaction show that the ESIPT of O-H type occurs with a small barrier or barrierless in the excited-state whereas those of N-H type have higher PT barriers except for the one with a stronger proton acceptor, resulting in a smaller barrier. On-the-fly dynamic simulations on the first excited-state were further carried out to provide the important dynamic information on PT time and probability. The results of dynamic simulations are in accordance with the potential energy surfaces in which the N-H type shows no PT in APBT but slow PT in APBI and fast PT in HNHPIP, while the O-H type (HBI, HBT and HPIP) exhibits ultrafast PT within 80 fs. Moreover, the occurrence of the ESIPT process is strongly dependent on reaction energy and activation energy, in which the H-bond mols. with thermodynamically and kinetically favorable characters always provide the ESIPT. Therefore, the type of proton donor and proton acceptor of H-bond mols. is very important to hinder or effectively facilitate the ESIPT process. And 2-(1H-Benzo[d]imidazol-2-yl)aniline (cas: 5805-39-0) was used in the research process.

2-(1H-Benzo[d]imidazol-2-yl)aniline(cas:5805-39-0 Related Products of 5805-39-0) is a chemical reagent used in the synthesis of small molecule inhibitors targeting ubiquitin-like domains for treatments of diseases caused by the cellular accumulation of damaged proteins.

Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Pierens, Gregory K.;Venkatachalam, T. K.;Reutens, David C. published 《Comparison of experimental and DFT-calculated NMR chemical shifts of 2-amino and 2-hydroxyl substituted phenyl benzimidazoles, benzoxazoles and benzothiazoles in four solvents using the IEF-PCM solvation model》 in 2016. The article was appeared in 《Magnetic Resonance in Chemistry》. They have made some progress in their research.Category: imidazoles-derivatives The article mentions the following:

A comparative study of exptl. and calculated NMR chem. shifts of six compounds comprising 2-amino and 2-hydroxy Ph benzoxazoles/benzothiazoles/benzimidazoles in four solvents is reported. The benzimidazoles showed interesting spectral characteristics, which are discussed. The proton and carbon chem. shifts were similar for all solvents. The largest chem. shift deviations were observed in benzene. The chem. shifts were calculated with d. functional theory using a suite of four functionals and basis set combinations. The calculated chem. shifts revealed a good match to the exptl. observed values in most of the solvents. The mean absolute error was used as the primary metric. The use of an addnl. metric is suggested, which is based on the order of chem. shifts. The DP4 probability measures were also used to compare the exptl. and calculated chem. shifts for each compound in the four solvents. Copyright © 2015 John Wiley & Sons, Ltd.2-(1H-Benzo[d]imidazol-2-yl)aniline (cas: 5805-39-0) were involved in the experimental procedure.

2-(1H-Benzo[d]imidazol-2-yl)aniline(cas:5805-39-0 Category: imidazoles-derivatives) is a chemical reagent used in the synthesis of small molecule inhibitors targeting ubiquitin-like domains for treatments of diseases caused by the cellular accumulation of damaged proteins.

Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Maji, Abhishek;Pal, Siddhartha;Lohar, Somenath;Mukhopadhyay, Subhra Kanti;Chattopadhyay, Pabitra published 《A new turn-on benzimidazole-based greenish-yellow fluorescent sensor for Zn²⁺ ions at biological pH applicable in cell imaging》. The research results were published in《New Journal of Chemistry》 in 2017.Formula: C13H11N3 The article conveys some information:

A newly designed and structurally characterized benzimidazole containing compound, 2,4-di-tert-butyl-6-(5,6-dihydro benzo[4,5] imidazo [1,2-c] quinazolin-6-yl)-phenol (HL), behaves as a turn-on fluorescent sensor selective for Zn²⁺ ions at as low as 39.91 nM within a very short responsive time (15-20 s) in 5 mM HEPES buffer (DMSO/water: 1/5, volume/volume) at biol. pH. Thorough exptl. and theor. (DFT) studies indicate the occurrence of greenish yellow fluorescence through a chelation enhanced fluorescence (CHEF) process. Using this organic moiety (HL) as a probe, almost no interference of other competitive ions in the detection of Zn²⁺ ions was observed The reaction of HL with Zn²⁺ led to the in situ formation of a tridentate monobasic ligand (HL¹) to produce the complex as [Zn(L¹)₂] through a [1,5] sigmatropic-type shift of HL prior to metal coordination. HL is also capable of detecting the intercellular distribution of Zn²⁺ ions in Candida sp. cells under a fluorescence microscope by developing the image. And 2-(1H-Benzo[d]imidazol-2-yl)aniline (cas: 5805-39-0) was used in the research process.

2-(1H-Benzo[d]imidazol-2-yl)aniline(cas:5805-39-0 Formula: C13H11N3) is a chemical reagent used in the synthesis of small molecule inhibitors targeting ubiquitin-like domains for treatments of diseases caused by the cellular accumulation of damaged proteins.

Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Reference of 2-(1H-Benzo[d]imidazol-2-yl)anilineIn 2019, Anand, Thangaraj;Sahoo, Suban K. published 《Cost-effective approach to detect Cu(II) and Hg(II) by integrating a smartphone with the colorimetric response from a NBD-benzimidazole based dyad》. 《Physical Chemistry Chemical Physics》published the findings. The article contains the following contents:

A new optical chemosensor N1 was designed and synthesized by condensing 4-chloro-7-nitrobenzofurazan with 2-aminophenylbenzimidazole. In CH₃OH : H₂O (1 : 1, volume/volume) medium, sensor N1 exhibited high selectivity and sensitivity towards Cu²⁺ and Hg²⁺ ions by showing a distinct color change from pale yellow to pink due to the internal charge transfer occurring between the sensor N1 and the Cu²⁺/Hg²⁺ ions upon complexation in 1 : 1 stoichiometry. Also, the binding of Cu²⁺ and Hg²⁺ ions with N1 resulted in new absorption bands at 540 nm and 375 nm with the concurrent disappearance of the sensor absorption bands at 485 nm and 321 nm. Using the spectral changes of N1, the concentrations of Cu²⁺ and Hg²⁺ ions can be detected down to 1.23 × 10^-7 M and 4.70 × 10^-7 M, resp. Further, the color change of N1 in the presence of Cu²⁺/Hg²⁺ ions was integrated with a smartphone color-scanning app to measure the red-green-blue (RGB) color intensity, and a cost-effective method was developed for the on-site detection of Cu²⁺/Hg²⁺ ions. Finally, the practicability of sensor N1 to quantify Cu²⁺ and Hg²⁺ ions in real water samples was successfully validated by using both the UV-vis spectrophotometer and the smartphone. And 2-(1H-Benzo[d]imidazol-2-yl)aniline (cas: 5805-39-0) was used in the research process.

2-(1H-Benzo[d]imidazol-2-yl)aniline(cas:5805-39-0 Reference of 2-(1H-Benzo[d]imidazol-2-yl)aniline) is a chemical reagent used in the synthesis of small molecule inhibitors targeting ubiquitin-like domains for treatments of diseases caused by the cellular accumulation of damaged proteins.

Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Reference of 2-(1H-Benzo[d]imidazol-2-yl)anilineIn 2022, Elgawish, Mohamed Saleh;Nafie, Mohamed S.;Yassen, Asmaa S. A.;Yamada, Koji;Ghareb, Nagat published 《The design and synthesis of potent benzimidazole derivatives via scaffold hybridization and evaluating their antiproliferative and proapoptotic activity against breast and lung cancer cell lines》. 《New Journal of Chemistry》published the findings. The article contains the following contents:

In the current study, a new series of scaffolds – benzimidazo[1,5-a]imidazoles, e.g., I, benzimidazo[1,2-c]thiazole, e.g., II, benzimidazotriazines, e.g., III,, and benzimidazo[1,2-c]quinazolines, e.g., IV – was synthesized via C-H cycloamination, using a metal-free synthetic pathway, as potent antiproliferative antiangiogenic mols. against breast (MCF-7) and lung (A549) cancer cell lines. The expansion of the benzimidazole scaffold with heterocyclic rings resulted in a tridentate cyclic system that occupied the ATP-binding site and neighboring hydrophobic pocket, elicited promising affinity and selectivity toward VEGFR2 through extra H-bonding and completely occupied the entrance region. Mol. docking studies demonstrated that most of the designed compounds bind VEGFR-2 adopting a DFG-in conformation, where the benzimidazole scaffold occupied the hinge region, the central aromatic ring occupied hydrophobic region I adjacent to the hinge region, and the hydrogen bond donor/acceptor bound to the hydrogen-bond-rich region. In comparison to lenvatinib, which had a docking score of -12.47 kJ mol^-1 and a Glide E-model value of -132.68 kcal mol^-1, compound III had a decent docking score of -8.95 kJ mol^-1 and a Glide E-model value of -92.17 kcal mol^-1. The designed mols. exhibited promising in situ cytotoxic activities, with IC₅₀ values ranging from 9.2 to 42.3μM against MCF-7 and A549, comparable to 5-fluorouracil (which has IC₅₀ values of 10.32 and 5.8μM against MCF-7 and A549, resp.); they also showed selective in vitro inhibitory activity against VEGFR2 when compared with other designed kinases, with compound III showing an IC₅₀ value (23 nM) as good as that of sorafenib (30 nM). Flow cytometry and cell cycle assays revealed that apoptotic cell death induction occurred in the A549 cell line through the activation of certain caspases and the tumor suppressor P53 and through repressing the generation of BAX and PUMA. Furthermore, the proposed compounds exhibited physicochem. and pharmacokinetics properties within the acceptable range for human usage, as anticipated by an in silico ADME study, making them lead mols. for developing new forms of medication. The experimental procedure involved many compounds, such as 2-(1H-Benzo[d]imidazol-2-yl)aniline (cas: 5805-39-0) .

2-(1H-Benzo[d]imidazol-2-yl)aniline(cas:5805-39-0 Reference of 2-(1H-Benzo[d]imidazol-2-yl)aniline) is a chemical reagent used in the synthesis of small molecule inhibitors targeting ubiquitin-like domains for treatments of diseases caused by the cellular accumulation of damaged proteins.

Reference:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem