Category: 1885-29-6

Fan, Linbing published the artcileConversion of chenodeoxycholic acid to cholic acid by human CYP8B1, Related Products of nitriles-buliding-blocks, the main research area is chenodeoxycholic cholic acid human CYPB; S. pombe; bile acid; cytochrome P450; fission yeast; liver; steroid hydroxylation.

The human cytochrome P 450 enzyme CYP8B1 is a crucial regulator of the balance of cholic acid (CA) and chenodeoxycholic acid (CDCA) in the liver. It was previously shown to catalyze the conversion of 7α-hydroxycholest-4-en-3-one, a CDCA precursor, to 7α,12α-dihydroxycholest-4-en-3-one, which is an intermediate of CA biosynthesis. In this study we demonstrate that CYP8B1 can also convert CDCA itself to CA. We also show that five derivatives of luciferin are metabolized by CYP8B1 and established a rapid and convenient inhibitor test system. In this way we were able to identify four new CYP8B1 inhibitors, which are aminobenzotriazole, exemestane, ketoconazole and letrozole.

Biological Chemistry published new progress about Catalysts. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Related Products of nitriles-buliding-blocks.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Liu, Fusheng published the artcileEfficient One Pot Capture and Conversion of CO2 into Quinazoline-2,4(1H,3H)-diones Using Triazolium-Based Ionic Liquids, Application of 2-Aminobenzonitrile(Flakes or Chunks), the main research area is CO quinazolinedione triazolium ionic liquid.

CO2 capture and utilization (CCU) have aroused much attention. In this paper, several novel triazolium-based ionic liquids (ILs) were developed for highly efficient transformation of CO2 into quinazoline-2,4(1H,3H)-diones. The catalytic behaviors such as the effects of IL structures and reaction parameters, catalyst recyclability, and scope of substrates were studied in detail. As compared to the reported homogeneous and heterogeneous catalysts, the [HTMG][Triz] with a tetramethylguanidine cation and a triazole anion exhibited an exceptional activity at 50°C and 1 atm CO2 without any organic solvents. On the basis of the CCU strategy, we first studied the equimolar CO2 capture by the [HTMG][Triz] and one pot conversion of activated CO2 into various quinazoline-2,4(1H,3H)-diones, and good to excellent product yields were obtained. In addition, the catalytic performance for synthesis of quinazoline-2,4(1H,3H)-dione under low concentration of CO2 using a simulated flue gas was studied. The developed triazolium-based ILs could realize simultaneous activation of CO2 and the substrates under ambient conditions, which also have been demonstrated to support the reaction mechanism well. The integrative protocol here shows great significance in the practical synthesis of quinazoline-2,4(1H,3H)-dione and their derivatives from captured CO2 waste under mild conditions. Triazolium-based ionic liquids show exceptional performance for equimolar CO2 capture and subsequent conversion into quinazoline-2,4(1H,3H)-diones under mild conditions.

ACS Sustainable Chemistry & Engineering published new progress about Flue gases. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Application of 2-Aminobenzonitrile(Flakes or Chunks).

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Saul, Sirle published the artcileIdentification and evaluation of 4-anilinoquin(az)olines as potent inhibitors of both dengue virus (DENV) and Venezuelan equine encephalitis virus (VEEV), Safety of 2-Aminobenzonitrile(Flakes or Chunks), the main research area is anilinoquinoline anilinoquinazoline antiviral dengue virus Venezuelan equine encephalitis virus; Alphavirus; Antiviral; Dengue virus; Flavivirus; Venezuelan equine encephalitis virus.

There is an urgent need for novel strategies for the treatment of emerging arthropod-borne viral infections, including those caused by dengue virus (DENV) and Venezuelan equine encephalitis virus (VEEV). We prepared and screened focused libraries of 4-anilinoquinolines and 4-anilinoquinazolines for antiviral activity and identified three potent compounds N-(2,5-dimethoxyphenyl)-6-(trifluoromethyl)quinolin-4-amine (10, I) inhibited DENV infection with an EC50 = 0.25μM, N-(3,4-dichlorophenyl)-6-(trifluoromethyl)quinolin-4-amine (27, II) inhibited VEEV with an EC50 = 0.50μM, while N-(3-ethynyl-4-fluorophenyl)-6,7-dimethoxyquinazolin-4-amine (54, III) inhibited VEEV with an EC50 = 0.60μM. These series of compounds demonstrated nearly no toxicity with CC50 values greater than 10μM in all cases. These promising results provide a future prospective to develop a clin. compound against these emerging viral threats.

Bioorganic & Medicinal Chemistry Letters published new progress about Antiviral agents. 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

Wang, Zhaoyang published the artcileMechanisms and reaction conditions of CO2 with o-aminobenzonitrile for the synthesis of quinazoline-2,4-dione, Category: nitriles-buliding-blocks, the main research area is review carbon dioxide aminobenzonitrile quinazolinedione reaction condition.

Quinazoline-2,4(1H,3H)-dione derivatives are key intermediates in pharmaceutical, biol. and chem. fields. To avoid the use of toxic carbonylation reagents such as phosgene, carbon monoxide and potassium cyanate, green synthesis methods for preparing quinazolindiones via the reaction of o-aminobenzonitrile with CO2 are developed. In this review, the factors such as reaction medium, catalyst and reaction temperature that influence the reaction of o-aminobenzonitrile with CO2 are systematically discussed. The protic solvent is favorable for the nitrile group as the initial reaction site to react with CO2. In contrast, the reactivity of the nitrile group and amino group of o-aminobenzonitrile could hardly be affected by aprotic solvent. Moreover, the reaction is also strongly affected by the catalyst, which is evaluated by the basicity and nucleophilicity of the catalyst. Specifically, the basicity mainly affects the activation of the amino group in the o-aminobenzonitrile substrate, whereas the nucleophilicity primarily impacts the formation of the CO2 activated state. The similarities and differences of different catalysts such as organic bases, inorganic bases, ionic liquids and supported catalysts in specific reaction pathways are also discussed in this review. In addition, the formation of isocyanate intermediate in the rearrangement process is significantly affected by the reaction temperature The quinazolindione could be easily formed from the isocyanate intermediate, isomerized from the cyclic carbamate, under high reaction temperature Furthermore, the quinazolindione could be formed directly by the isomerized cyclic carbamate under low reaction temperature

Journal of CO2 Utilization published new progress about Aprotic solvents. 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

Yu, Bin published the artcileDesign, Synthesis, and Evaluation of the Antifungal Activity of Novel Pyrazole-Thiazole Carboxamides as Succinate Dehydrogenase Inhibitors, HPLC of Formula: 1885-29-6, the main research area is pyrazole thiazole carboxamide derivative preparation succinate dehydrogenase inhibitor antifungal; fungicidal activity; molecular docking; structure−activity relationships; succinate dehydrogenase inhibitors.

Succinate dehydrogenase (SDH) is regarded as a promising target for fungicide discovery. To continue our ongoing studies on the discovery of novel SDH inhibitors as fungicides, novel pyrazole-thiazole carboxamides were designed, synthesized, and evaluated for their antifungal activity. The results indicated that compounds 9ac, 9bf, and 9cb showed excellent in vitro activities against Rhizoctonia cerealis with EC50 values from 1.1 to 4.9 mg/L, superior to that of the com. fungicide thifluzamide (EC50 = 23.1 mg/L). Compound 9cd (EC50 = 0.8 mg/L) was far more active than thifluzamide (EC50 = 4.9 mg/L) against Sclerotinia sclerotiorum. Compound 9ac exhibited promising in vivo activity against Rhizoctonia solani (90% at 10 mg/L), which was better than that of thifluzamide (80% at 10 mg/L). The field experiment showed that compound 9ac had 74.4% efficacy against Rhizoctonia solani on the 15th day after two consecutive sprayings at an application rate of 4.80 g a.i./667 m2, which was close to that of thifluzamide (83.3%). Furthermore, mol. docking explained the possible binding mode of compound 9ac in the RcSDH active site. Our studies indicated that the pyrazole-thiazole carboxamide hybrid is a new scaffold of SDH inhibitors.

Journal of Agricultural and Food Chemistry published new progress about Botrytis cinerea. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, HPLC of Formula: 1885-29-6.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Xu, Yiming published the artcileNew modification strategy of matrine as Hsp90 inhibitors based on its specific L conformation for cancer treatment, Formula: C7H6N2, the main research area is radicicol thermal shift assay anticancer activity mechanism of action; Anticancer activity; L-shaped matrine derivatives; Mechanism of action; Radicicol; Thermal shift assay.

The similarity of spatial structure between radicicol and matrine urged us to perform conformation modification of matrine, followed by L-shaped matrine derivatives, 6, 12, 21a-h and 22a-h were originally designed, synthesized and evaluated for Hsp90N inhibitors as anticancer agents. TSA (Thermal Shift Assay) results indicated that 21e, 22a-c and 22e-g exhibited strong binding force against Hsp90N with|ΔTm| > 3, meanwhile, MTT assay also revealed these compounds displayed potent anticancer activity with IC50 values below 25μM against HepG2, HeLa and MDA-MB-231 cells lines. Then, compound 22g with a high ΔTm = 10.92 was chosen as a representative to perform further mechanism study. It can induce cell apoptosis, arrest the cell cycle at the S phase and decrease the expression level of Hsp90 in Hela cell. These results originally provided targeted modification strategy for matrine derivatives to serve as Hsp90 inhibitors for cancer therapy.

Bioorganic & Medicinal Chemistry published new progress about Antitumor agents. 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

Zhang, Yaling published the artcileNovel 4-arylaminoquinazolines bearing N,N-diethyl(aminoethyl)amino moiety with antitumor activity as EGFRwt-TK inhibitor, Safety of 2-Aminobenzonitrile(Flakes or Chunks), the main research area is arylaminoquinazoline synthesis antcancer EGFR apoptosis cell cycle cancer; -diethyl(aminoethyl)amino moiety; Quinazoline derivatives; antiproliferative activities; molecular docking; wild type epidermal growth factor receptor tyrosine kinase (EGFR-TK).

Herein, four novel 4-arylaminoquinazoline derivatives with N,N-diethyl(aminoethyl)amino moiety were designed, synthesized and evaluated on biol. activities in vitro. All synthesized compounds have inhibitory effects against tumor cells (SW480, A549, A431 and NCI-H1975). In particular, 4-(3-chloro-4-(3-fluorobenzyloxy)phenylamino)-6-(5-((N,N-diethyl(aminoethyl))aminomethyl)furan-2-yl)quinazoline () and 6-(5-((N,N-diethylethyl)aminomethyl)furan-2-yl)-4-(4-(E)-(propen-1-yl)phenylamino)quinazoline () were potent antitumor agents which showed high antiproliferative activities against tumor cells in vitro. Moreover, compound could induce late apoptosis of A549 cells at high concentrations and arrest cell cycle of A549 cells in the G0/G1 phase at tested concentrations Also, compound could inhibit the activity of wild type epidermal growth factor receptor tyrosine kinase (EGFRwt-TK) with IC50 value of 15.60 nM. Mol. docking showed that compound formed three hydrogen bonds with EGFRwt-TK, while lapatinib formed only two hydrogen bonds with the receptor protein. It is believed that this work would be giving a reference for developing anti-cancer drugs targeted EGFR-TK.

Journal of Enzyme Inhibition and Medicinal Chemistry published new progress about Antitumor agents. 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

Boutard, Nicolas published the artcileDiscovery and structure-activity relationships of N-aryl 6-aminoquinoxalines as potent PFKFB3 kinase inhibitors, Application In Synthesis of 1885-29-6, the main research area is crystal structure neoplasm antitumor PFKFB3 kinase inhibitor aminoquinoxaline; cancer; enzymes; glycolysis; inhibitors; metabolism.

Energy and biomass production in cancer cells are largely supported by aerobic glycolysis in what is called the Warburg effect. The process is regulated by key enzymes, among which phosphofructokinase PFK-2 plays a significant role by producing fructose-2,6-biphosphate; the most potent activator of the glycolysis rate-limiting step performed by phosphofructokinase PFK-1. Herein, the synthesis, biol. evaluation and structure-activity relationship of novel inhibitors of 6-phosphofructo-2-kinase/fructose-2,6-biphosphatase 3 (PFKFB3), which is the ubiquitous and hypoxia-induced isoform of PFK-2, are reported. X-ray crystallog. and docking were instrumental in the design and optimization of a series of N-aryl 6-aminoquinoxalines. The most potent representative, N-(4-methanesulfonylpyridin-3-yl)-8-(3-methyl-1-benzothiophen-5-yl)quinoxalin-6-amine, displayed an IC50 of 14 nM for the target and an IC50 of 0.49 μM for fructose-2,6-biphosphate production in human colon carcinoma HCT116 cells. This work provides a new entry in the field of PFKFB3 inhibitors with potential for development in oncol.

ChemMedChem published new progress about Antitumor agents. 1885-29-6 belongs to class nitriles-buliding-blocks, name is 2-Aminobenzonitrile(Flakes or Chunks), and the molecular formula is C7H6N2, Application In Synthesis of 1885-29-6.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Li, Shuai published the artcileDesign, synthesis and biological evaluation of erythrina derivatives bearing a 1,2,3-triazole moiety as PARP-1 inhibitors, Recommanded Product: 2-Aminobenzonitrile(Flakes or Chunks), the main research area is erythrina triazole preparation PARP 1 inhibitor antitumor structure activity; 1,2,3-Triazole; Apoptosis; Erythrina; PARP-1 inhibitor.

Inhibitors of poly (ADP-ribose) polymerase-1 (PARP-1) have shown to be promising in clin. trials against cancer, and many researchers are interested in the development of new PARP-1 inhibitors. Herein, we designed and synthesized 44 novel erythrina derivatives bearing a 1,2,3-triazole moiety, I (RR1 = O, R2 = H, 2-Me, 3-MeO, 4-Me, etc.; R = OH, R1 = H), as PARP-1 inhibitors. MTT assay results indicated that compound I (RR1 = O, R2 = 2-F) (II) had the most potent anti-proliferative activity against A549 cells among five cancer cells. The enzyme inhibitory activity in vitro of compound II was also significantly better than rucaparib. Furthermore, the selectivity index of compound II was higher than rucaparib for lung cancer cells. Flow cytometry anal. showed that compound II induced apoptosis of A549 cells by the mitochondrial pathway. Western blot anal. indicated that compound II was able to inhibit the biosynthesis of PAR effectively, and it was more potent than rucaparib. Also, compound II was able to up-regulate the ratio of bax/bcl-2, activate caspase-3, and ultimately induced apoptosis of A549 cells. The combined results revealed that the discovery of novel non-amide based PARP-1 inhibitors have great research significance and provide a better choice for the future development of drugs.

Bioorganic Chemistry published new progress about Antitumor agents. 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

Oekchuae, Sittisak published the artcileThe Design and Synthesis of a New Series of 1,2,3-Triazole-Cored Structures Tethering Aryl Urea and Their Highly Selective Cytotoxicity toward HepG2, Recommanded Product: 2-Aminobenzonitrile(Flakes or Chunks), the main research area is triazole cored aryl urea preparation antitumor human; 1,2,3-triazole-containing drug; click reaction; drug discovery; hepatocellular carcinoma (HCC); selective anti-HepG2 agent; sorafenib analog; targeted cancer drug.

Herein, a new series of 1,2,3-triazole-cored structures incorporating aryl urea I [R = H, 2-Me, 4-F, etc.] as anti-HepG2 agents was designed and synthesized via nucleophilic addition and copper-catalyzed azide-alkyne cycloaddition (CuAAC) with excellent yields. Significantly, almost all triazole-cored analogs exhibited less cytotoxicity toward normal cells, human embryonal lung fibroblast cell MRC-5, compared to Sorafenib and Doxorubicin. Among them, I [R = 2-OEt, 2-Cl] exhibited the highest selectivity indexes (SI = 14.7 and 12.2), which were ca. 4.4- and 3.7-fold superior to that of Sorafenib (SI = 3.30) and ca. 3.8- and 3.2-fold superior to that of Doxorubicin (SI = 3.83), resp. Addnl., excellent inhibitory activity against hepatocellular carcinoma HepG2, comparable to Sorafenib, was still maintained. A cell-cycle anal. and apoptosis induction study suggested that I [R = 2-OEt, 2-Cl] likely share a similar mechanism of action to Sorafenib. Furthermore, compounds I [R = 2-OEt, 2-Cl] exhibit appropriate drug-likeness, analyzed by SwissADME. With their excellent anti-HepG2 activity, improved selectivity indexes, and appropriate druggability, the triazole-cored analogs I [R = 2-OEt, 2-Cl] are suggested to be promising candidates for development as targeted cancer agents and drugs used in combination therapy for the treatment of HCC.

Pharmaceuticals published new progress about Antitumor agents. 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