Category: 1885-29-6

Mu, Xueli published the artcileHow and Why a Protic Ionic Liquid Efficiently Catalyzes Chemical Fixation of CO2 to Quinazoline-2,4-(1H,3H)-diones: Electrostatically Controlled Reactivity, Safety of 2-Aminobenzonitrile(Flakes or Chunks), the main research area is aminobenzonitrile carbon dioxide cyclization protic IL catalyst quinazolinedione formation.

A d. functional theory study has been conducted to gain insight into the intriguing exptl. observations on the synthesis of quinazoline-2,4-(1H,3H)-diones from 2-aminobenzonitriles reacting with CO2 catalyzed by protic ionic liquids (ILs). We explored the mol. mechanism of the titled reaction, as well as the origin and catalytic nature of different ILs toward the reaction in detail. The calculated energetically viable mechanism involves CO2 attack, intramol. rearrangement, and intramol. cyclization stages. This mechanism features the initial polarization of the CN triple bond with the assistance of the real catalytic species, [HDBU+][TFECOO-], where the cation [HDBU+] acts as Bronsted acid and the anion [TFECOO-], the adduct of anion [TFE-] and CO2, acts as a nucleophile. The calculated results present the electrostatically controlled character of the reaction, where the reactivity relies on the electrostatic interaction of the IL cation with the anion. The reactivity can be controlled and regulated by the basicity of the deprotonated counterpart of the IL cation as well as the CO2 adsorption ability of the IL anion. The best catalytic performance of [HDBU+][TFE-] is attributed to its strongest basicity of the deprotonated counterpart of [HDBU+] and its most efficient CO2 adsorption property of [TFE-]. These theor. results are expected to provide guidance for designing efficient IL-based catalysts in preparing quinazoline-2,4-(1H,3H)-diones by reacting 2-aminobenzonitriles with CO2.

Journal of Physical Chemistry A published new progress about Adsorption. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Safety of 2-Aminobenzonitrile(Flakes or Chunks).

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Li, Shasha published the artcileA nanoscale observation to explain the discrepancy of electron exchange capacities between biochar containing comparable surface redox-active moieties, Name: 2-Aminobenzonitrile(Flakes or Chunks), the main research area is biochar nanoscale electron exchange capacity surface redox active moiety.

Biochar, possessing electron exchange capacities (EEC), is generally involved in environmental redox reactions due to the presence of redox-active moieties (RAMs). The phenomenon that chars containing comparable RAMs possess differential EEC revealed that the accessibility of RAMs is important to the redox properties. However, many studies have focused on the type of RAMs, whereas the distribution has been insufficiently investigated. Herein, we achieved nanoscale observation of electroactive moieties on the surface of six chars using a conductive at. force microscope. For the two specific kinds of chars with submicron particles and opposite current distributions, the submicron particles took up only 1-4%wt of biochar accounting for approx. 30-50% of electron-donating capacity (EDC), and electron-accepting capacity (EAC) became 87% and 1.40 times as before after removing submicron particles, resp. Meanwhile, the combined impact of RAMs and surface topog. (that uneven distribution of RAMs resulted in outstanding EEC by enhancing accessibility) was clarified. Furthermore, direct evidence of the link between char structure and EEC (that condensed aromatic structures were indispensable to EAC while both heteroatoms and amorphous aromatics contributed to EDC) was established. These findings can aid in understanding the functions of biochar in biotic and abiotic redox processes.

BioChar published new progress about Adsorption. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Name: 2-Aminobenzonitrile(Flakes or Chunks).

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Tarawneh, Amer H. published the artcileA new and convenient synthetic method for 4-aminoquinoline-3-carbonitrile and its derivatives, Synthetic Route of 1885-29-6, the main research area is aminoquinoline carbonitrile preparation; cyanoethylamino benzonitrile preparation chemoselective Thorpe Ziegler cyclization; anthranilonitrile bromopropanenitrile monoalkylation.

A convenient approach is described for the general synthesis of 4-aminoquinoline-3-carbonitrile I [R = H, 6-Me, 7-Me, 6-F] scaffolds. A series of substituted anthranilonitriles RC6H3(2-CN)NH2 [R = H, 4-Me, 5-Me, 5-F] bearing electron-donating and-withdrawing groups on the arene reacts with 3-bromopropanenitrile and t-BuOK in anhydrous DMF at ca. 24°C. A wide variety of bases have been used to optimize selective mono-N-alkylation. The best conditions lead to the corresponding 2-(cyanoethylamino)benzonitriles RC6H3(2-CN)NH(CH2)2CN in moderate or good yields. Thorpe-Ziegler cyclization of the N-unprotected 2-(cyanoethylamino)benzonitrile analogs with t-BuLi in THF at -78°C gives I in moderate yields. Owing to their vicinal amino and cyano functional groups that can function as enaminonitrile moieties, 4-aminoquinoline-3-carbonitriles I are attractive building blocks frequently used in ring construction.

Heterocycles published new progress about Alkylation. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Synthetic Route of 1885-29-6.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Liu, Pingxian published the artcileDesign and synthesis of novel pyrimidine derivatives as potent antitubercular agents, Computed Properties of 1885-29-6, the main research area is ceritinib pyrimidine analog preparation antitubercular mol docking; Antimycobacterial; Ceritinib; Dihydrofolate reductase inhibitors; Pyrimidine derivatives.

The emergence of various drug-resistant Mycobacterium tuberculosis (Mtb) strains has necessitated the exploration of new drugs that lack cross-resistance with existing therapeutics. By screening the MedChemExpress bioactive compound library, ceritinib was identified as a compound with activity against Mtb H37Ra. Ceritinib had a MIC value of 9.0 μM in vitro and demonstrated in vivo efficacy in a BALB/c mouse model infected with autoluminescent H37Ra. Then, 32 novel ceritinib derivatives were synthesized, and their antimycobacterial activities were evaluated in vitro. The antimycobacterial activities of the synthesized compounds were drastically affected by substitutions at position 4 of the pyrimidine nucleus and were enhanced by the presence of 2-isopropoxy-5-methyl-4-(piperidin-4-yl)aniline at position 2 of the pyrimidine nucleus. The in vivo antitubercular activities of the three most potent compounds were evaluated. 5-Chloro-N2-(2-isopropoxy-5-methyl-4-(piperidin-4-yl) phenyl)-N4-(naph thalen-1-yl) pyrimidine-2,4-diamine (I) remarkably reduced the Mtb burden of mice. This result suggested the potential of I as a novel drug with superior antitubercular activities. The results of experiments on the combination of sulfamethoxazole with I and in silico modeling suggest that dihydrofolate reductase is the potential mol. target of I.

European Journal of Medicinal Chemistry published new progress about Antifolates. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Computed Properties of 1885-29-6.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Bayrak, Nilufer published the artcileStructure based design, synthesis, and evaluation of anti-CML activity of the quinolinequinones as LY83583 analogs, Recommanded Product: 2-Aminobenzonitrile(Flakes or Chunks), the main research area is quinolinequinone LY analog antichronic myelogenous leukemia activity; Aminoquinone; Apoptosis; Chronic myelogenous leukemia (CML); DNA-Cleavage; LY83583; Quinolinequinones; Structure-activity relationship (SAR).

Quinone-based small mols. are the promising structures for antiproliferative drug design and can induce apoptosis in cancer cells. Among them, one of the quinolinequinones, named as 6-anilino-5,8-quinolinequinone, LY83583 has the ability to inhibit the growth of cancer cells as an inhibitor of cyclase. The biol. potential of all synthesized compounds as the analogs of the identified lead mol. LY83583 that possessed the antiproliferative efficiency was determined The two series of the LY83583 analogs containing electron-withdrawing or electron-donating group(s) were synthesized and subsequently in vitro evaluated for their cytotoxic activity against K562, Jurkat, MT-2, and HeLa cell lines using MTT assay. All the LY83583 analogs showed antiproliferative activity with good IC50 values (less than pos. control imatinib). Four analogs from each series were also selected for the determination of selectivity against human peripheral blood mononuclear cells (PBMCs). The analog AQQ15 showed high potency towards all cancer cell lines with almost similar selectivity of imatinib. In order to get a better insight into cytotoxic effects of the analog AQQ15 in K562 cells, further apoptotic effects due to annexin V/ethidium homodimer III staining, ABL1 kinase inhibition, and DNA cleaving ability were examined The analog AQQ15 induced apoptotic cell death in K562 cells with 34.6% compared to imatinib (6.5%). This analog showed no considerable ABL1 kinase inhibitory activity but significant DNA cleavage activity indicating DNA fragmentation-induced apoptosis. Besides, mol. docking studies revealed that the analog AQQ15 established proper interactions with the deoxyribose sugar attached with the nucleobases adenine and guanidine resp., in the minor groove of the double helix of DNA. In silico predicted pharmacokinetic parameters of this analog were found to comply with the standard range making it an efficient anticancer drug candidate for further research.

Chemico-Biological Interactions published new progress about Absorption. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Recommanded Product: 2-Aminobenzonitrile(Flakes or Chunks).

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Yu, Xinye published the artcileStudies on the isomeric effect of nitrile functionality on the polymerization and thermal properties of ortho-norbornene-based benzoxazine resins, Safety of 2-Aminobenzonitrile(Flakes or Chunks), the main research area is nitrile norbornene benzoxazine resin polymerization isomeric effect thermal property.

Three norbornene-functional mono-benzoxazines with attached nitrile group at the para-, meta-, and ortho-position with respect to the nitrogen atom in the oxazine ring, resp., have been synthesized to investigate the isomeric effect of nitrile group on the polymerization and thermal properties of resulting polybenzoxazines. The chem. structures of newly obtained benzoxazine monomers are investigated by 1H and 13C NMR spectroscopy and FT-IR spectroscopy. Besides, the polymerization behaviors including oxazine ring, nitrile group as well as norbornene functionality in each benzoxazine are studied by differential scanning calorimetry (DSC) and in situ FT-IR. In addition, the thermal properties of corresponding polybenzoxazines are investigated by TGA. The nitrile group at ortho-position in benzoxazine has been found to be easier activated to polymerize compared with other two isomers. Moreover, the resulting polybenzoxazine derived from ortho-nitrile containing benzoxazine also shows the best thermal stability with a Td5 of 371°C, and a char yield of 56%.

Journal of Polymer Research published new progress about Melting point. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Safety of 2-Aminobenzonitrile(Flakes or Chunks).

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Bhardwaj, Vijay Kumar published the artcileComputer simulation to identify selective inhibitor for human phosphodiesterase10A, Name: 2-Aminobenzonitrile(Flakes or Chunks), the main research area is phosphodiesterase computer simulation mol docking.

Phosphodiesterases (PDEs) play an important function in transduction of cellular signals by modulating the activation of G-proteins by hydrolyzing cAMP and cGMP. PDE10A has emerged as an inhibitory target for development of effective therapeutics against various disorders such as schizophrenia, psychosis, Huntington disease, and other disorders related to the central nervous system. We utilized various computational methods such as mol. docking, mol. dynamic simulations, and MM-PBSA to find a more potent and selective PDE10A inhibitor compared to papaverine, which is a known standard inhibitor of PDE10A. Mol. docking of papaverine and twenty-eight in house synthesized 3-Methylenisoindolin-1-one based mols. provided two potential lead mols. (mol. #3 and mol. #28), which could be developed as potent PDE10A inhibitors. However, mol. #28 was excluded from further studies due to its cross reactivity with other PDE isoforms. Mol. dynamics and MM-PBSA techniques were used to further analyze the mol. docking results. Mol. #3 binds to the conserved substrate recognizing residue (Gln726) and also fits into the selectivity pocket by anchoring to the hydrophobic residue Tyr693. This study provides a promising candidate mol. that could be developed as a more potent and selective inhibitor of PDE10A.

Journal of Molecular Liquids published new progress about Homo sapiens. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Name: 2-Aminobenzonitrile(Flakes or Chunks).

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Iwaki, Yuzo published the artcileTowards a TREK-1/2 (TWIK-Related K+ Channel 1 and 2) dual activator tool compound: Multi-dimensional optimization of BL-1249, Formula: C7H6N2, the main research area is TREK1 TREK2 potassium ion channel activator; Activator; K(2P) channel; Potassium ion channel; TREK-1; TREK-2.

This letter describes a focused, multi-dimensional optimization campaign around BL-1249, a fenamate class non-steroidal anti-inflammatory and a known activator of the K2P potassium channels TREK-1 (K2P2.1) and TREK-2 (K2P10.1). While BL-1249 has been widely profiled in vitro as a dual TREK-1/2 activator, poor physicochem. and DMPK properties have precluded a deeper understanding of the therapeutic potential of these key K2P channels across a broad spectrum of peripheral and central human disease. Here, we report multi-dimensional SAR that led to a novel TREK-1/2 dual activator chemotype, exemplified by ONO-2960632/VU6011992, with improved DMPK properties, representing a new lead for further optimization towards robust in vivo tool compounds

Bioorganic & Medicinal Chemistry Letters published new progress about Homo sapiens. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Formula: C7H6N2.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

You, Bingxin published the artcileAu Nanoparticles Supported by Porous Aromatic Frameworks-Efficient and Recyclable Catalysts for Nitro Reduction, Category: nitriles-buliding-blocks, the main research area is gold nanoparticle nitro reduction recyclable catalyst porous aromatic framework.

A strategy has been developed for the preparation of gold nanoparticles (Au NPs) supported by porous aromatic frameworks (Au@PAF-184, Au@PAF-185) with high Au NPs loading, good stability and excellent activity. This approach contains two steps: the first step is ion exchange between cationic porous aromatic frameworks with NaAuCl4, fixing AuCl4- by the electrostatic interaction between anions and cations; the second step is reduction with NaBH4. Au@PAF-184 and Au@PAF-185 were successfully prepared accordingly. In comparison with the previously prepared similar types of materials such as Au@PAF-93 (2.86 wt% Au loading) and Au@PAF-94 (4.69 wt% Au loading) prepared by coordination and reduction, etc., the loading of Au NPs of Au@PAF-184 (24.2 wt% Au loading) and Au@PAF-185 (34.9 wt% Au loading) has increased by about 8 times. When employed as catalysts for nitrobenzene reduction, both Au@PAF-184 and Au@PAF-185 exhibited high catalytic activity and excellent reusability.

Catalysts published new progress about Binding energy. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Category: nitriles-buliding-blocks.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Ansel, Annabel Q. published the artcileCombined Cyanoborylation, C-H Activation Strategy for Styrene Functionalization, Safety of 2-Aminobenzonitrile(Flakes or Chunks), the main research area is styrene multicomponent copper catalyst borylation cyanation regioselective acetoxylation; diarylethane preparation.

A one-pot multicomponent copper-catalyzed protocol for borylation/ortho-cyanation of styrene derivatives followed by a Suzuki-Miyaura coupling provides a platform to explore the factors that control the selectivity between distal or proximal functionalization of arenes. The development of divergent nitrile-directed C-H functionalization (acetoxylation, pivalation, and methoxylation) offers an effective approach to rapidly increase synthetic complexity. Finally, the development of a mild reductive decyanation allows a traceless method to access functionalized biaryl motifs.

Organic Letters published new progress about Acetoxylation. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Safety of 2-Aminobenzonitrile(Flakes or Chunks).

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts