Day: December 5, 2022

Lei, Tao published the artcileDiscovery of the Potent Phosphoinositide 3-Kinase d (PI3 K d) Inhibitors, SDS of cas: 197958-29-5, the publication is ChemistrySelect (2020), 5(1), 196-200, database is CAplus.

The PI3Kd plays a pivotal role in regulating immune cell function and has recently emerged as a promising therapeutic target in treating various diseases, which draw more and more attention to discover potent PI3Kd inhibitors in recent years. Starting from structure-based drug design, a series of derivatives were designed and synthesized as new chemotypes of PI3Kd inhibitors. The potential compounds were structurally optimized by interaction showed in docking study. In cell-free kinase activity assays, Homogeneous Time-Resolved Fluorescence Assay (HTRF) method was performed for evaluating the inhibitory activities against PI3Kd. Interestingly, the representative compound 4 exhibited potent PI3Kd activity (IC₅₀=72 nM), which is comparable to that of pos. compound TGR1202. Furthermore, compound 4 showed 15-fold water solubility than TGR1202. In addition, the tests of compound 4 on anti-cancer activity against jeko-1 cancer cell line and cytotoxicity against peripheral blood mononuclear cell (PBMC) suggested high inhibition activity and low toxicity resp. A series of experiments indicated that compound 4 possessed novel chem. structure and high-efficiency PI3Kd inhibition activity, deserving further structural optimization to develop highly potent PI3Kd inhibitors.

ChemistrySelect 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, SDS of cas: 197958-29-5.

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

Zhou, Min published the artcileFingerprinting pharmaceuticals of multiple sources at a provincial watershed scale, Application of Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, the publication is Science of the Total Environment (2022), 153356, database is CAplus and MEDLINE.

Pharmaceutical residues in the aquatic environment have increasingly attracted public concerns but their fingerprint of sources remain unclear at a watershed scale. This study systematically explored pharmaceutical residues in effluent of 8 different type of sources in a provincial watershed in China using a multi-category protocol of pharmaceutical quantification. Seventy-seven out of 94 target compounds from 6 categories were quantified in effluent, up to 71,318 ng L^-1 in total from urban hospital sources with 20 antibiotics and 32 others. The spectrum of the quantified compounds in effluent significantly differentiated the urban (hospitals, domestic sewages, and WWTPs), rural (health centers and domestic sewages), and agricultural production sources (poultry and swine breeding yards, aquaculture ponds, and paddy fields). Compounds of non-steroidal anti-inflammation drugs (NSAIDs), cardiovascular drugs (CVs), and central nervous drugs (CNs) could fingerprint the three groups of sources. However, the three categories contributed 7 out of 10 compounds with high risk (risk quotient >1.0) to the aquatic environment identified by the eco-environmental risk assessment. No high-risk compounds were identified in effluent of urban WWTPs. Findings of this study suggest source identification and compound spectrum fingerprinting are crucial for studies on pharmaceutical residues in the aquatic environment, especially the complexity of pharmaceutical residues in source effluents for exploring source-sink dynamics at a watershed scale.

Science of the Total Environment 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 C9H12O, Application of Dimethyl 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.

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

Olson, Kirk L. published the artcileNovel amide and imidazole compounds as potent hematopoietic prostaglandin D₂ synthase inhibitors, COA of Formula: C5H6BNO2, the publication is Bioorganic & Medicinal Chemistry Letters (2021), 127759, database is CAplus and MEDLINE.

In seeking novel and potent small mol. hematopoietic prostaglandin D₂ synthase (H-PGDS) inhibitors as potential therapies for PGD₂-mediated diseases and conditions, we explored a series comprising multiple aryl/heteroaryl rings attached in a linear arrangement. Each compound incorporates an amide or imidazole “linker” between the pyrimidine or pyridine “core” ring and the “tail” ring system. We synthesized and screened twenty analogs by fluorescence polarization binding assay, thermal shift assay, glutathione S-transferase inhibition assay, and a cell-based assay measuring suppression of LPS-induced PGD₂ stimulation. Amide analogs show ten-fold greater shift in the thermal shift assay in the presence of glutathione (GSH) vs. the same assay run in the absence of GSH. The imidazole analogs did not produce a significant change in thermal shift between the two assay conditions, suggesting a possible stabilization effect of the amide linker in the synthase-GSH-inhibitor complex. Imidazole analog 23, (KMN-010034) demonstrates superior potency across the in vitro assays and good in vitro metabolic stability in both human and guinea pig liver microsomes.

Bioorganic & Medicinal Chemistry Letters 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, COA of Formula: C5H6BNO2.

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

Nappi, Manuel published the artcileSelective Chemical Functionalization at N6-Methyladenosine Residues in DNA Enabled by Visible-Light-Mediated Photoredox Catalysis, Computed Properties of 89076-64-2, the publication is Journal of the American Chemical Society (2020), 142(51), 21484-21492, database is CAplus and MEDLINE.

Selective chem. that modifies the structure of DNA and RNA is essential to understanding the role of epigenetic modifications. We report a visible-light-activated photocatalytic process that introduces a covalent modification at a C(sp³)-H bond in the Me group of N6-Me deoxyadenosine and N6-Me adenosine, epigenetic modifications of emerging importance. A carefully orchestrated reaction combines reduction of a nitropyridine to form a nitrosopyridine spin-trapping reagent and an exquisitely selective tertiary amine-mediated hydrogen-atom abstraction at the N6-Me group to form an α-amino radical. Cross-coupling of the putative α-amino radical with nitrosopyridine leads to a stable conjugate, installing a label at N6-methyl-adenosine. We show that N6-Me deoxyadenosine-containing oligonucleotides can be enriched from complex mixtures, paving the way for applications to identify this modification in genomic DNA and RNA.

Journal of the American Chemical Society published new progress about 89076-64-2. 89076-64-2 belongs to pyridine-derivatives, auxiliary class Pyridine,Nitro Compound,Benzene, name is 5-Nitro-2-phenylpyridine, and the molecular formula is C11H8N2O2, Computed Properties of 89076-64-2.

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

Kaithal, Akash published the artcileCatalytic Hydrogenation of Cyclic Carbonates using Manganese Complexes, Synthetic Route of 338800-13-8, the publication is Angewandte Chemie, International Edition (2018), 57(41), 13449-13453, database is CAplus and MEDLINE.

Catalytic hydrogenation of cyclic carbonates to diols and methanol was achieved using a mol. catalyst based on earth-abundant manganese. The complex [Mn(CO)₂(Br)][HN(C₂H₄PⁱPr₂)₂] 1 comprising com. available MACHO ligand is an effective pre-catalyst operating under relatively mild conditions (T=120 °C, p(H₂)=30-60 bar). Upon activation with NaO^tBu, the formation of coordinatively unsaturated complex [Mn(CO)₂][N((C₂H₄PⁱPr₂)₂)] 5 was spectroscopically verified, which confirmed a kinetically competent intermediate. With the pre-activated complex, turnover numbers up to 620 and 400 were achieved for the formation of the diol and methanol, resp. Stoichiometric reactions under catalytically relevant conditions provide insight into the stepwise reduction form the CO₂ level in carbonates to methanol as final product.

Angewandte Chemie, International Edition 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, Synthetic Route of 338800-13-8.

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

Metin, Oender published the artcileNi/Pd core/shell nanoparticles supported on graphene as a highly active and reusable catalyst for Suzuki-Miyaura cross-coupling reaction, Product Details of C11H8N2O2, the publication is Nano Research (2013), 6(1), 10-18, database is CAplus.

Monodisperse Ni/Pd core/shell nanoparticles (NPs) have been synthesized by sequential reduction of nickel(II) acetate and palladium(II) bromide in oleylamine (OAm) and trioctylphosphine (TOP). The Ni/Pd NPs have a narrow size distribution with a mean particle size of 10 nm and a standard deviation of 5% with respect to the particle diameter Mechanistic studies showed that the presence of TOP was essential to control the reductive decomposition of Ni-TOP and Pd-TOP, and the formation of Ni/Pd core/shell NPs. Using the current synthetic protocol, the composition of the Ni/Pd within the core/shell structure can be readily tuned by simply controlling the initial molar ratio of the Ni and Pd salts. The as-synthesized Ni/Pd core/shell NPs were supported on graphene (G) and used as catalyst in Suzuki-Miyaura cross-coupling reactions. Among three different kinds of Ni/Pd NPs tested, the Ni/Pd (Ni/Pd = 3/2) NPs were found to be the most active catalyst for the Suzuki-Miyaura cross-coupling of arylboronic acids with aryl iodides, bromides and even chlorides in a dimethylformamide/water mixture by using K₂CO₃ as a base at 110 °C. The G-Ni/Pd was also stable and reusable, providing 98% conversion after the 5th catalytic run without showing any noticeable Ni/Pd composition change. The G-Ni/Pd structure reported in this paper combines both the efficiency of a homogeneous catalyst and the durability of a heterogeneous catalyst, and is promising catalyst candidate for various Pd-based catalytic applications.

Nano Research published new progress about 89076-64-2. 89076-64-2 belongs to pyridine-derivatives, auxiliary class Pyridine,Nitro Compound,Benzene, name is 5-Nitro-2-phenylpyridine, and the molecular formula is C11H8N2O2, Product Details of C11H8N2O2.

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

Kondoh, Azusa published the artcileFormal umpolung addition of phosphites to 2-azaaryl Ketones under chiral Broensted base catalysis: enantioselective protonation utilizing [1,2]-phospha-Brook rearrangement, HPLC of Formula: 91-02-1, the publication is Chemistry – A European Journal (2022), 28(42), e202201240, database is CAplus and MEDLINE.

The formal enantioselective umpolung addition of dialkyl phosphites to 2-azaaryl ketones was developed under Broensted base catalysis. The reaction involved the enantioselective protonation of the transient α-oxygenated (2-azaaryl)methyl anion generated through the 1,2-addition of the anion of dialkyl phosphite to the 2-azaaryl ketone and the subsequent [1,2]-phospha-Brook rearrangement. A chiral bis(guanidino)iminophosphorane organosuperbase efficiently catalyzed the reaction to provide enantio-enriched phosphates in high yields with good to high enantioselectivities. This is a rare example of the catalytic enantioselective protonation of transient carbanions other than enolates, constructing a trisubstituted stereogenic center α to 2-azaarenes.

Chemistry – A European Journal 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, HPLC of Formula: 91-02-1.

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

Takeya, Mitsue published the artcilePDGFRα⁺ subepithelial interstitial cells act as a pacemaker to drive smooth muscle of the guinea pig seminal vesicle, Quality Control of 21829-25-4, the publication is Journal of Physiology (Oxford, United Kingdom) (2022), 600(7), 1703-1730, database is CAplus and MEDLINE.

Smooth muscle cells (SMCs) of the guinea pig seminal vesicle (SV) develop spontaneous phasic contractions, Ca2+ flashes and elec. slow waves in a mucosa-dependent manner, and thus it was envisaged that pacemaker cells reside in the mucosa. Here, we aimed to identify the pacemaker cells in SV mucosa using intracellular microelectrode and fluorescence Ca2+ imaging techniques. Morphol. characteristics of the mucosal pacemaker cells were also investigated using focused ion beam/SEM tomog. and fluorescence immunohistochem. Two populations of mucosal cells developed spontaneous Ca2+ transients and elec. activity, namely basal epithelial cells (BECs) and subepithelial interstitial cells (SICs). Pancytokeratin-immunoreactive BECs were located on the apical side of the basement membrane (BM) and generated asynchronous, irregular spontaneous Ca2+ transients and spontaneous transient depolarisations (STDs). The spontaneous Ca2+ transients and STDs were not diminished by 10μM nifedipine but abolished by 10μM cyclopiazonic acid (CPA). Platelet-derived growth factor receptor α (PDGFRα)-immunoreactive SICs were distributed just beneath the basal side of the BM and developed synchronous Ca2+ oscillations and elec. slow waves, which were suppressed by 3μM nifedipine and abolished by 10μM CPA. In SV mucosal preparations in which some smooth muscle bundles remained attached, SICs and residual SMCs developed temporally correlated spontaneous Ca2+ transients. Neurobiotin injected into SICs spread not only to neighboring SICs but also to neighboring SMCs or vice versa. These results suggest that PDGFRα+ SICs electrotonically drive the spontaneous contractions of SV smooth muscle. Key points : In many visceral smooth muscle organs, spontaneous contractions are elec. driven by non-muscular pacemaker cells. In guinea pig seminal vesicles (SVs), as yet unidentified mucosal cells appear to drive neighboring smooth muscle cells (SMCs). Two populations of spontaneously active cells are distributed in the SV mucosa. Basal epithelial cells (BECs) generate asynchronous, irregular spontaneous Ca2+ transients and spontaneous transient depolarisations (STDs). In contrast, subepithelial interstitial cells (SICs) develop synchronous Ca2+ oscillations and elec. slow waves. Pancytokeratin-immunoreactive (IR) BECs are located on the apical side of the basement membrane (BM), while platelet-derived growth factor receptor α (PDGFRα)-IR SICs are located on the basal side of the BM. Spontaneous Ca2+ transients in SICs are synchronised with those in SV SMCs. Dye-coupling between SICs and SMCs suggests that SICs act as pacemaker cells to drive the spontaneous contractions of SV smooth muscle.

Journal of Physiology (Oxford, United Kingdom) 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 C13H9FO2, Quality Control of 21829-25-4.

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

Fontaine, Fanny published the artcileFirst identification of boronic species as novel potential inhibitors of the Staphylococcus aureus NorA efflux pump, Recommanded Product: (6-Ethoxypyridin-3-yl)boronic acid, the publication is Journal of Medicinal Chemistry (2014), 57(6), 2536-2548, database is CAplus and MEDLINE.

Overexpression of efflux pumps is an important mechanism of bacterial resistance that results in the extrusion of antimicrobial agents outside the bacterial cell. Inhibition of such pumps appears to be a promising strategy that could restore the potency of existing antibiotics. The NorA efflux pump of Staphylococcus aureus confers resistance to a wide range of unrelated substrates, such as hydrophilic fluoroquinolones, leading to a multidrug-resistance phenotype. Here, 150 heterocyclic boronic species were evaluated for their activity against susceptible and resistant strains of S. aureus. Twenty-four hit compounds, although inactive when tested alone, were found to potentiate ciprofloxacin activity by a 4-fold increase at concentrations ranging from 0.5 to 8 μg/mL against S. aureus 1199B, which overexpresses NorA. Boron-free analogs showed no biol. activity, thus revealing that the boron atom is crucial for biol. activity. This work describes the first reported efflux pump inhibitory activity of boronic acid derivatives

Journal of Medicinal Chemistry published new progress about 612845-44-0. 612845-44-0 belongs to pyridine-derivatives, auxiliary class Pyridine,Boronic acid and ester,Ether,Boronic Acids,Boronic acid and ester, name is (6-Ethoxypyridin-3-yl)boronic acid, and the molecular formula is C7H10BNO3, Recommanded Product: (6-Ethoxypyridin-3-yl)boronic acid.

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

Maust, Mark C. published the artcileSwitchable Regioselective 6-endo or 5-exo Radical Cyclization via Photoredox Catalysis, SDS of cas: 39856-58-1, the publication is Journal of the American Chemical Society (2022), 144(9), 3776-3781, database is CAplus and MEDLINE.

Here a simple method for reagent controlled regioselective radical cyclization of halogenated N-heterocycles onto pendant olefins was developed. Radical generation occurs under mild photoredox conditions with control of the regioselectivity governed by the rate of hydrogen atom transfer (HAT). Utilizing a polarity-matched thiol-based HAT agent promoted the highly selective formation of the 5-exo cyclization product. Conversely, limiting the solubility of the HAT reagent Hantzsch ester (HEH) leads to selective formation of the thermodynamically favored 6-endo product. This occurs through an initial 5-exo cyclization, with the resulting alkyl radical intermediate undergoing neophyl rearrangement to form the 6-endo product. Development of this switchable catalysis strategy allows for two modes of divergent reactivity to form either the 6-endo or 5-exo product, generating fused N-heteroaromatic/saturated ring systems.

Journal of the American Chemical Society 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, SDS of cas: 39856-58-1.

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