Day: November 25, 2022

Brecklinghaus, Tim published the artcileThe hepatocyte export carrier inhibition assay improves the separation of hepatotoxic from non-hepatotoxic compounds, COA of Formula: C17H18N2O6, the publication is Chemico-Biological Interactions (2022), 109728, database is CAplus and MEDLINE.

An in vitro/in silico method that determines the risk of human drug induced liver injury in relation to oral doses and blood concentrations of drugs was recently introduced. This method utilizes information on the maximal blood concentration (Cmax) for a specific dose of a test compound, which can be estimated using physiol.-based pharmacokinetic modeling, and a cytotoxicity test in cultured human hepatocytes. In the present study, we analyzed if the addition of an assay that measures the inhibition of bile acid export carriers, like BSEP and/or MRP2, to the existing method improves the differentiation of hepatotoxic and non-hepatotoxic compounds Therefore, an export assay for 5-chloromethylfluorescein diacetate (CMFDA) was established. We tested 36 compounds in a concentration-dependent manner for which the risk of hepatotoxicity for specific oral doses and the capacity to inhibit hepatocyte export carriers are known. Compared to the CTB cytotoxicity test, substantially lower EC10 values were obtained using the CMFDA assay for several known BSEP and/or MRP2 inhibitors. To quantify if the addition of the CMFDA assay to our test system improves the overall separation of hepatotoxic from non-hepatotoxic compounds, the toxicity separation index (TSI) was calculated We obtained a better TSI using the lower alert concentration from either the CMFDA or the CTB test (TSI: 0.886) compared to considering the CTB test alone (TSI: 0.775). In conclusion, the data show that integration of the CMFDA assay with an in vitro test battery improves the differentiation of hepatotoxic and non-hepatotoxic compounds in a set of compounds that includes bile acid export carrier inhibitors.

Chemico-Biological Interactions published new progress about 21829-25-4. 21829-25-4 belongs to pyridine-derivatives, auxiliary class Membrane Transporter/Ion Channel,Calcium Channel, name is Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, and the molecular formula is C17H18N2O6, COA of Formula: C17H18N2O6.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Hosseini-Sarvari, Mona published the artcileVisible-light assisted of nano Ni/g-C₃N₄ with efficient photocatalytic activity and stability for selective aerobic C-H activation and epoxidation, Safety of Phenyl(pyridin-2-yl)methanone, the publication is Journal of Organometallic Chemistry (2020), 121549, database is CAplus.

A selective, economical, and ecol. protocol has been described for the oxidation of Me arenes and their analogs ArCH₂R (Ar = 3-nitrophenyl, 1-naphthyl, furan-2-yl, etc.; R = H, Me, Ph, pyridin-2-yl) and 9H-fluorene to the corresponding carbonyl compounds ArC(O)R and 9H-fluoren-9-one and epoxidation reactions of alkenes, e.g., 1,3-cyclohexadiene with mol. oxygen (O₂) or air as a green oxygen source, under mild reaction conditions. The nano Ni/g-C₃N₄ exhibited high photocatalytic activity, stability, and selectivity in the C-H activation of Me arenes, methylene arenes, and epoxidation of various alkenes under visible-light irradiation without the use of an oxidizing agent and under base free conditions.

Journal of Organometallic Chemistry published new progress about 91-02-1. 91-02-1 belongs to pyridine-derivatives, auxiliary class Pyridine,Benzene,Ketone, name is Phenyl(pyridin-2-yl)methanone, and the molecular formula is C12H9NO, Safety of Phenyl(pyridin-2-yl)methanone.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Dropinski, James F. published the artcileSynthesis and biological activities of novel arylindole-2-carboxylic acid analogs as PPARγ partial agonists, Name: (4-(Trifluoromethyl)pyridin-2-yl)boronic acid, the publication is Bioorganic & Medicinal Chemistry Letters (2005), 15(22), 5035-5038, database is CAplus and MEDLINE.

A series of novel arylindole-2-carboxylic acids has been identified as potent selective PPARγ modulators. Their chem. synthesis and in vitro activities are discussed. The indole I was selected for in vivo testing in the db/db mouse model of type 2 diabetes and resulted in reduction of hyperglycemia at comparable plasma exposure when compared to rosiglitazone.

Bioorganic & Medicinal Chemistry Letters published new progress about 870459-90-8. 870459-90-8 belongs to pyridine-derivatives, auxiliary class Trifluoromethyl,Pyridine,Fluoride,Boronic acid and ester,Boronic Acids,Boronic acid and ester, name is (4-(Trifluoromethyl)pyridin-2-yl)boronic acid, and the molecular formula is C6H5BF3NO2, Name: (4-(Trifluoromethyl)pyridin-2-yl)boronic acid.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Kiani, Adeleh published the artcileDirect synthesis of sulfonyl azides from sulfonic acids, Application In Synthesis of 636-73-7, the publication is Journal of Sulfur Chemistry (2014), 35(2), 119-127, database is CAplus.

A one-pot process for the synthesis of various sulfonyl azides (RSO₂N₃) by treating sulfonic acids with PPh₃-trichloroisocyanuric acid-sodium azide at room temperature was described. A wide range of arenesulfonyl and alkanesulfonyl azides was obtained in excellent yields under mild conditions.

Journal of Sulfur Chemistry published new progress about 636-73-7. 636-73-7 belongs to pyridine-derivatives, auxiliary class Pyridine,Sulfonic acid, name is Pyridine-3-sulfonic acid, and the molecular formula is C5H5NO3S, Application In Synthesis of 636-73-7.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Iwasawa, Tetsuo published the artcileExperimental and Computational Probes of a Self-Assembled Capsule, Synthetic Route of 85237-71-4, the publication is Organic Letters (2006), 8(14), 2925-2928, database is CAplus and MEDLINE.

This research was undertaken to explore the interior surface of a synthetic receptor 1.1 with arylpyridines as guests. The interior surface differentiates the guests through the recognition of their nitrogen atoms. Exptl. and computational analyses revealed that there is a delicate balance of attractions and repulsions between the host and the lone pairs of guests.

Organic Letters published new progress about 85237-71-4. 85237-71-4 belongs to pyridine-derivatives, auxiliary class Pyridine,Benzene, name is 5-Methyl-2-(p-tolyl)pyridine, and the molecular formula is C13H13N, Synthetic Route of 85237-71-4.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Principe, Daniel R. published the artcileCalcium channel blockers potentiate gemcitabine chemotherapy in pancreatic cancer, Recommanded Product: Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, the publication is Proceedings of the National Academy of Sciences of the United States of America (2022), 119(18), e2200143119, database is CAplus and MEDLINE.

There is currently no effective treatment for pancreatic ductal adenocarcinoma (PDAC). While palliative chemotherapy offers a survival benefit to most patients, nearly all will eventually progress on treatment and long-term survivability remains poor. Given the lack of subsequent line treatment options, in this study, we sought to identify novel strategies to prevent, delay, or overcome resistance to gemcitabine, one of the most widely used medications in PDAC. Using a combination of single-cell RNA sequencing and high-throughput proteomic anal., we identified a subset of gemcitabine-resistant tumor cells enriched for calcium/calmodulin signaling. Pharmacol. inhibition of calcium-dependent calmodulin activation led to the rapid loss of drug-resistant phenotypes in vitro, which addnl. single-cell RNA sequencing identified was due to impaired activation of the RAS/ERK signaling pathway. Consistent with these observations, calcium chelation or depletion of calcium in the culture media also impaired ERK activation in gemcitabine-resistant cells, and restored therapeutic responses to gemcitabine in vitro. We observed similar results using calcium channel blockers (CCBs) such as amlodipine, which inhibited prosurvival ERK signaling in vitro and markedly enhanced therapeutic responses to gemcitabine in both orthotopic xenografts and transgenic models of PDAC. Combined, these results offer insight into a potential means of gemcitabine resistance and suggest that select CCBs may provide a clin. benefit to PDAC patients receiving gemcitabine-based chemotherapy.

Proceedings of the National Academy of Sciences of the United States of America published new progress about 21829-25-4. 21829-25-4 belongs to pyridine-derivatives, auxiliary class Membrane Transporter/Ion Channel,Calcium Channel, name is Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, and the molecular formula is C17H18N2O6, Recommanded Product: Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Chen, Linxiao published the artcileSulfate promotion of selective catalytic reduction of nitric oxide by ammonia on ceria, SDS of cas: 636-73-7, the publication is Catalysis Science & Technology (2019), 9(8), 1802-1815, database is CAplus.

NO selective catalytic reduction by NH₃ (NH₃-SCR) is a promising technol. to control NO_x emissions. A recently discovered sulfate promotion effect in this reaction was thoroughly examined over CeO₂. Sulfates from different organic S precursors all exhibited a promoting effect. Mechanistic studies generated a reaction network which included Langmuir-Hinshelwood and Eley-Rideal mechanisms. Sulfates were shown to be versatile promoters with multiple functions: tuning reactant adsorption toward a more balanced intermediate coverage by creating strong Lewis acid sites; facilitating *NH₂ formation; and suppressing NH₃ ammonia oxidation via oxygen deactivation. A comparison between sulfates and the classic inorganic promoter, FeO_x, showed sulfates are more effective, particularly at high temperature This was mainly attributed to the high coverages of Eley-Rideal intermediates and low NH₃ oxidation activity on sulfated CeO₂. This work provided a fundamental understanding of the role of surface sulfates in NH₃-SCR; essential under actual operation conditions. This understanding presents an opportunity to design future catalysts with high durability and low cost.

Catalysis Science & Technology published new progress about 636-73-7. 636-73-7 belongs to pyridine-derivatives, auxiliary class Pyridine,Sulfonic acid, name is Pyridine-3-sulfonic acid, and the molecular formula is C5H5NO3S, SDS of cas: 636-73-7.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Duroux, Romain published the artcileAntagonists of the adenosine A_2A receptor based on a 2-arylbenzoxazole scaffold: Investigation of the C5- and C7-positions to enhance affinity, Application In Synthesis of 197958-29-5, the publication is European Journal of Medicinal Chemistry (2018), 151-163, database is CAplus and MEDLINE.

The authors have recently reported a series of 2-furoyl-benzoxazoles as potential A_2A adenosine receptor (A_2AR) antagonists. Two hits were identified with interesting pharmacokinetic properties but were find to bind the hA_2AR receptor in the micromolar-range. Herein, to enhance affinity toward the hA_2AR, the authors explored the C5- and C7-position of the hits based on docking studies. These modifications led to compounds with nanomolar-range affinity (e.g., 6a (2,7-di(furan-2-yl)benzoxazol-5-amine), Ki = 40 nM) and high antagonist activity (e.g., 6a, IC₅₀ = 70.6 nM). Selected compounds also exhibited interesting in vitro DMPK (Drug Metabolism and Pharmacokinetics) properties including high solubility and low cytotoxicity. Therefore, the benzoxazole ring appears as a highly effective scaffold for the design of new A_2A antagonists.

European Journal of Medicinal Chemistry published new progress about 197958-29-5. 197958-29-5 belongs to pyridine-derivatives, auxiliary class Pyridine,Boronic acid and ester, name is 2-Pyridinylboronic acid, and the molecular formula is C5H6BNO2, Application In Synthesis of 197958-29-5.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Saifuddin, Mohammad published the artcileWater-accelerated cationic π-(7-endo) cyclization: application to indole-based Peri-annulated polyheterocycles, Quality Control of 39856-58-1, the publication is European Journal of Organic Chemistry (2010), 5108-5117, S5108/1-S5108/27, database is CAplus.

An efficient and versatile method for the synthesis of indole-based polycyclic indolo-benzazepine and its derivatives e. g., I, II through water-accelerated cationic π-cyclization is described. The strategy involves condensation of arylamine moieties linked to C-4 in indole/azaindole systems with arylaldehydes in water containing catalytic amount of Bronsted acids. The C-C bond formation in water is complete within 10-30 min, furnishing the title compounds in excellent yields and purities, whereas in organic solvents 10-12 h are required. Furthermore, aldehydes both with electron-donating and-withdrawing substituents facilitate the π-cyclization equally.

European Journal of Organic Chemistry published new progress about 39856-58-1. 39856-58-1 belongs to pyridine-derivatives, auxiliary class Pyridine,Bromide,Amine, name is 2-Bromopyridin-3-amine, and the molecular formula is C5H5BrN2, Quality Control of 39856-58-1.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem

Rayder, Thomas M. published the artcileA Bioinspired Multicomponent Catalytic System for Converting Carbon Dioxide into Methanol Autocatalytically, Computed Properties of 338800-13-8, the publication is Chem (2020), 6(7), 1742-1754, database is CAplus.

Nature utilizes multicomponent catalyst systems to convert simple, abundant starting materials into complex mols. that are essential for life. In contrast, synthetic chem. transformations rarely adopt this strategy because it is difficult to replicate the sophisticated supramol. assemblies used by biol. for active-site separation and substrate trafficking. Here, we describe a method for multicomponent catalyst separation that involves encapsulating transition-metal complexes in nanoporous materials called metal-organic frameworks. The multicomponent catalyst system was highly active for converting hydrogen and carbon dioxide to methanol, and it could be formulated to be readily recyclable. Moreover, we uncovered an autocatalytic feature that was possible only when we utilized the multicomponent catalyst strategy. These results open avenues for obtaining fuel from abundant and renewable resources.

Chem published new progress about 338800-13-8. 338800-13-8 belongs to pyridine-derivatives, auxiliary class Bis-phosphine Ligands, name is 2,6-Bis((di-tert-butylphosphino)methyl)pyridine, and the molecular formula is C23H43NP2, Computed Properties of 338800-13-8.

Referemce:
https://en.wikipedia.org/wiki/Pyridine,
Pyridine | C5H5N – PubChem