Tag: M.W=150-200

Xia, Chunnian; Yao, Zhengguang; Xu, Lijuan; Zhang, Wannian; Chen, Haihu; Zhuang, Chunlin published the artcile< Structure-based bioisosterism design of thio-benzoxazepinones as novel necroptosis inhibitors>, Reference of 19346-45-3, the main research area is necroptosis bioisosterism design thiobenzoxazepinones; Bioisosterism; Chirality; Necroptosis; Thio-benzoxazepinone.

Necroptosis is reported to play a critical role in contributing to a variety of human pathologies. The benzoxazepinone GSK′772 is a potent necroptosis inhibitor optimized using a hit from a DNA-encoded library, which is currently in phase II clin. trials for psoriasis, rheumatoid arthritis, and ulcerative colitis. In the present study, the bioisosterism strategy was applied to replace the amide and benzene ring of GSK′772 based on the co-crystal structure of GSK′772 with its binding target RIPK1. As a result, the novel thio-benzoxazepinones exhibited higher anti-necroptosis activity in a human HT-29 cell necroptosis model. The effect on anti-necroptosis activity by the chirality was significantly reduced in the thio-benzoxazepinones, which was explained by the ligand conformation calculation Among these analogs, compound 11 (S) and 12 (R) specifically inhibited necroptosis rather than apoptosis with EC50 values of 2.8 and 22.6 nM. They blocked necrosome formation by inhibiting the phosphorylation of RIPK1, RIPK3 and MLKL in necroptotic cells. Collectively, the highly potent thio-benzoxazepinones represent promising lead structures for further development of necroptosis-related diseases.

European Journal of Medicinal Chemistry published new progress about Cell survival. 19346-45-3 belongs to class pyridine-derivatives, and the molecular formula is C6H5FN2O2, Reference of 19346-45-3.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Li, Jun-Xia; Du, Zhong-Xiang; Zhang, Lu-Lu; Liu, Duo-Li; Pan, Qiu-Yue published the artcile< Doubly mononuclear co-crystal and oxalato-bridged binuclear copper compounds containing flexible 2-((3,5,6-trichloropyridin-2-yl)oxy)acetate tectons: Synthesis, crystal analysis and magnetic properties>, Quality Control of 366-18-7, the main research area is copper trichloropyridinyloxyacetate oxalato bipyridine preparation crystal structure.

Two new Cu compounds, [Cu(3,5,6-tcpa)2(H2O)4]·[Cu(3,5,6-tcpa)2(H2O)2] (1) and [Cu2(3,5,6-tcpa)2(2,2′-bipy)2(oxa)]·2EtOH (2) (3,5,6-Htcpa = 2-((3,5,6-trichloro pyridin-2-yl)oxy)acetic acid, 2,2′-bipy = 2,2′-bipyridine, oxa = oxalate dianion), were synthesized by solvothermal method and systematically characterized. Single-crystal x-ray diffraction anal. show that 1 is an interesting double mononuclear co-crystal and consists of two discrete and stereochem. different complexes: one octahedral, the other tetrahedral about the Cu centers. While for 2, two equivalent Cu ions are in square pyramidal geometry and linked by oxalate anion forming a novel binuclear cluster. The O-H···O H bonds, Cl···Cl halogen bonds and/or π···π stacking interactions play an important part in construction of the 3-dimensional networks for 1 and 2. The magnetic measurements indicate that there is weak antiferromagnetic coupling between two Cu ions in 1 and 2. Notably, compound 2 also can be obtained in a higher yield with 1 as one of the starting material and the driving force for this transition process was carefully discussed.

Inorganica Chimica Acta published new progress about Antiferromagnetic exchange. 366-18-7 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, Quality Control of 366-18-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Decker, Katherine T.; Gao, Ye; Rychel, Kevin; Al Bulushi, Tahani; Chauhan, Siddharth M.; Kim, Donghyuk; Cho, Byung-Kwan; Palsson, Bernhard O. published the artcile< proChIPdb: a chromatin immunoprecipitation database for prokaryotic organisms>, HPLC of Formula: 366-18-7, the main research area is Escherichia proChIPdb prokaryotic organisms transcription factors nucleotides regulons.

The transcriptional regulatory network in prokaryotes controls global gene expression mostly through transcription factors (TFs), which are DNA-binding proteins. Chromatin immunoprecipitation (ChIP) with DNA sequencing methods can identify TF binding sites across the genome, providing a bottom-up, mechanistic understanding of how gene expression is regulated. ChIP provides indispensable evidence toward the goal of acquiring a comprehensive understanding of cellular adaptation and regulation, including condition-specificity. ChIP-derived data’s importance and labor-intensiveness motivate its broad dissemination and reuse, which is currently an unmet need in the prokaryotic domain. To fill this gap, we present proChIPdb, an information-rich, interactive web database. This website collects public ChIP-seq/-exo data across several prokaryotes and presents them in dashboards that include curated binding sites, nucleotide-resolution genome viewers, and summary plots such as motif enrichment sequence logos. Users can search for TFs of interest or their target genes, download all data, dashboards, and visuals, and follow external links to understand regulons through biol. databases and the literature. This initial release of proChIPdb covers diverse organisms, including most major TFs of Escherichia coli, and can be expanded to support regulon discovery across the prokaryotic domain.

Nucleic Acids Research published new progress about Chromatin. 366-18-7 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, HPLC of Formula: 366-18-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Chauhan, Archana; Langyan, Ritu published the artcile< Preparation and optical features of samarium(III) complexes introducing bidentate fluorinate and secondary ligands>, HPLC of Formula: 366-18-7, the main research area is samarium complex bidentate fluorinate optical feature secondary ligand.

The syntheses of five luminescent samarium(III) complexes based on 6-Fluoro-4-oxo-4H-1-benzopyran-3-carboxaldehyde (L) and bidentate ancillary ligands were reported. The bidentate ancillary ligands were 1, 10-phenanthroline, 2, 2′-bipyridine, neocuproine, and bathophenanthroline. The complexes were characterized by employing elemental anal., UV, FTIR, ESI-MS+ spectrometry, TGA, FESEM, and PXRD. The luminescence properties of complexes in solution and powder state have been discussed to investigate optical characterization. The complexes display characteristic luminescence peaks of samarium(III) ion at ∼ 566, 600, and 647 nm. Different coordination environments around samarium(III) ion in DMSO solution and powder state result in different emission colors: bright orange and red color with intense peaks at ∼ 600 nm and ∼ 647 nm. The luminescent quantum yield, decay time, CCT, and CIE coordinates were considered. The replacement of aqua ligands by the bidentate subsidiary ligands from the parent complex enriched emission properties, thermal stability, decay time, and quantum yields. Interesting optical properties of complexes in the orange-red spectral region might be useful in electronic devices, bio-assays, and liquid lasers.

Journal of Materials Science: Materials in Electronics published new progress about Bidentate ligands Role: TEM (Technical or Engineered Material Use), USES (Uses). 366-18-7 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, HPLC of Formula: 366-18-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Araujo, Jose Weliton de Oliveira; Moura-Moreira, Mayra; Del Nero, Jordan published the artcile< Electronic transport via DTF-NEGF at bipyridine junctions with 1D organic electrodes>, Name: 2,4-Bipyridine, the main research area is bipyridine junction electronic transport electrode field effect transistor.

In this work, we study the properties of electronic transport in mol. junctions formed by bipyridine isomers as central region coupled at electrodes of carbyne wires. Through calculations of first principles, based on D. Functional Theory (DFT), combined with Non-Equilibrium Green′s Functions (NEGF), we obtain important properties such as elec. current, differential conductance, transmission, and eigenchannels. The results showed that the presence of nitrogen atoms in the mol.-electrode interface strongly affects the coupling of the junction, providing better electronic conduction; this is corroborated by the transmission eigenchannels. The transport properties analyzed revealed that in bipyridine bridges, devices with carbyne electrodes, presented better performance when compared to other works that used metallic electrodes (Au, Ag, and Cu) or graphene nanoribbons electrodes. The devices proposed showed a Field Effect Transistor (FET) behavior when are formed by sym. isomers, whereas for asym. systems we obtained characteristics of Mol. Diode (MD).

Physica E: Low-Dimensional Systems & Nanostructures (Amsterdam, Netherlands) published new progress about Bias potential. 581-47-5 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, Name: 2,4-Bipyridine.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Sokolov, V. B.; Aksinenko, A. Yu. published the artcile< Fluorinated triazinones from hexafluoroacetone ethoxycarbonylimine>, SDS of cas: 188577-68-6, the main research area is hexafluoroacetone ethoxycarbonylimine cyclocondensation binucleophile; trifluoromethyltriazinone derivative preparation.

The behavior of hexafluoroacetone ethoxycarbonylimine in cyclocondensation with various binucleophiles of the amidine type, viz., amino derivatives of N- and N,S-heterocycles, was studied. A preparative method for the synthesis of previously unknown annelated 2,2-bis(trifluoromethyl)-1,3,5-triazinones was developed.

Russian Chemical Bulletin (Translation of Izvestiya Akademii Nauk, Seriya Khimicheskaya) published new progress about Cyclocondensation reaction. 188577-68-6 belongs to class pyridine-derivatives, and the molecular formula is C5H4Cl2N2, SDS of cas: 188577-68-6.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Pillalamarri, Vijaykumar; Reddy, Chilakala Gangi; Bala, Sandeep Chowdary; Jangam, Aruna; Kutty, Vinny Vinod; Addlagatta, Anthony published the artcile< Methionine aminopeptidases with short sequence inserts within the catalytic domain are differentially inhibited: Structural and biochemical studies of three proteins from Vibrio spp.>, Name: 2,2′-Bipyridine, the main research area is methionine aminopeptidase inhibitor drug target; Cholera; Drug discovery; MetAP; Methionine aminopeptidase; Vibrio.

Methionine aminopeptidases (MetAPs) have been recognized as drug targets and have been extensively studied for discovery of selective inhibitors. MetAPs are essential enzymes in all living cells. While most prokaryotes contain a single gene, some prokaryotes and all eukaryotes including human have redundancy. Due to the similarity in the active sites of the MetAP enzyme between the pathogens and human limited the success of discovering selective inhibitors. We recently have discovered that MetAPs with small inserts within the catalytic domain to have different susceptibilities against some inhibitors compared to those that do not have. Using this clue we used bioinformatic tools to identify new variants of MetAPs with inserts in pathogenic species. Two new isoforms were identified in Vibrio species with two and three inserts in addition to an isoform without any insert. Multiple sequence alignment suggested that inserts are conserved in several of the Vibrio species. Two of the three inserts are common between two and three insert isoforms. One of the inserts is identified to have “”NNKNN”” motif that is similar to well-characterized quorum sensing peptide, “”NNWNN””. Another insert is predicted to have a posttranslational modification site. Three Vibrio proteins were cloned, expressed, purified, enzyme kinetics established and inhibitor screening has been performed. Several of the pyridinylpyrimidine derivatives selectively inhibited MetAPs with inserts compared to those that do not have, including the human enzyme. Crystal structure and mol. modeling studies provide the mol. basis for selective inhibition.

European Journal of Medicinal Chemistry published new progress about Crystal structure. 366-18-7 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, Name: 2,2′-Bipyridine.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Hachey, Austin C.; Havrylyuk, Dmytro; Glazer, Edith C. published the artcile< Biological activities of polypyridyl-type ligands: implications for bioinorganic chemistry and light-activated metal complexes>, Reference of 366-18-7, the main research area is ligand polypyridyl phenanthroline bioinorganic chem metal complex; 1,10-Phenanthroline; Chemotherapy; Copper; Iron; Ligand; Natural products; Polypyridyl; Ruthenium.

Polypyridyl coordinating ligands are common in metal complexes used in medicinal inorganic chem. These ligands possess intrinsic cytotoxicity, but detailed data on this phenomenon are sparse, and cytotoxicity values vary widely and are often irreproducible. To provide new insights into the biol. effects of bipyridyl-type ligands and structurally related metal-binding systems, reports of free ligand cytotoxicity were reviewed. The cytotoxicity of 25 derivatives of 2,2-bipyridine and 1,10-phenanthroline demonstrates that there is no correlation between IC50 values and ligand properties such as pKa, log D, polarizability volume, and electron d., as indicated by NMR shifts. As a result of these observations, as well as the various reported mechanisms of action of polypyridyl ligands, we offer the hypothesis that biol. effects are governed by the availability of and affinity for specific metal ions within the exptl. model.

Current Opinion in Chemical Biology published new progress about Bioinorganic chemistry. 366-18-7 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, Reference of 366-18-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Song, Pinrao; Chen, Ming; Ma, Xiaodong; Xu, Lei; Liu, Tao; Zhou, Yubo; Hu, Yongzhou published the artcile< Identification of novel inhibitors of Aurora A with a 3-(pyrrolopyridin-2-yl)indazole scaffold>, Application In Synthesis of 22280-62-2, the main research area is inhibitor Aurora pyrrolopyridinylindazole scaffold; Antiproliferative agents; Aurora A inhibitors; Cell cycle profile; Pyrrolopyridin-indazoles; Selectivity.

A novel series of 3-(pyrrolopyridin-2-yl)indazole derivatives were synthesized and biol. evaluated for their anti-proliferative effects on five human cancer cell lines. As a result, all of them exhibited vigorous potency against HL60 cell line with IC50 values ranging from singe digital nanomolar to micromolar level. Besides, a majority of them displayed modest to good antiproliferative activities against the other four cell lines, including KB, SMMC-7721, HCT116, and A549. Particularly, compound 2y, as the most distinguished one in this series, demonstrated IC50 values of 8.3 nM and 1.3 nM against HL60 and HCT116 cell lines, resp. Afterwards, for exploring the mol. target, compounds2d, 2g and 2y were further selected to evaluate the inhibitory activities against a panel of kinases. Finally, they were identified to be targeting Aurora A kinase with significant selectivity over other kinases, such as CHK1, CDK2, MEK1, GSK3β, BRAF, IKKβ and PKC.

Bioorganic & Medicinal Chemistry published new progress about Antitumor agents. 22280-62-2 belongs to class pyridine-derivatives, and the molecular formula is C6H7N3O2, Application In Synthesis of 22280-62-2.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Kumar, Manish; Kumar, Gyanendra; Mogha, Navin Kumar; Jain, Ritu; Hussain, Firasat; Masram, Dhanraj T. published the artcile< Structure, DNA/proteins binding, docking and cytotoxicity studies of copper(II) complexes with the first quinolone drug nalidixic acid and 2,2'-dipyridylamine>, Quality Control of 366-18-7, the main research area is crystal structure copper nalidixate dipyridylamine; copper nalidixate dipyridylamine preparation DNA HSA BSA binding cytotoxicity; Copper complexes; Crystal structure; Cytotoxicity; DFT calculations; DNA and proteins binding studies; Molecular docking studies.

This work presents the synthesis, structural characterization and biol. affinity of the newly synthesized Cu(II) complexes with the 1st antibacterial quinolone drug nalidixic acid (nal) [Cu(nal)2(H2O)], (1) or N-donor ligand 2,2′-dipyridylamine (bipyam). [Cu(II)(nal)(bipyam)Cl], (2) reveals a distorted square pyramidal based geometry in Cu(II) atom confirmed by x-ray crystallog. technique. The theor. stabilities and optimized structures of the complex were obtained from DFT calculations The ability of the complexes to bind with calf thymus DNA (CT DNA) were studied by electronic absorption, fluorescence, CD, and viscosity measurements techniques. The complexes strongly interact with CT DNA via intercalative mode but complex 2 exhibits the highest affinity giving Kb = 3.91 ± 0.13 × 106, M-1. The fluorescence spectroscopy measurements show that both complexes have the superior ability to the replacement of EtBr from DNA-bound EtBr solution and bind to DNA through intercalative mode. Both complex also shows the superior affinity towards proteins with comparatively high binding constant values which were further revealed by fluorescence spectroscopy measurements. Mol. docking anal. indicates that the interaction of the complexes and proteins are stabilized by H bonding and hydrophobic interaction. Also, the results of in vitro cytotoxicity reveal that the complex 2 has excellent cytotoxicity than 1 against human breast cancer cell lines (MCF-7).

Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy published new progress about Antitumor agents. 366-18-7 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, Quality Control of 366-18-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem