Day: December 7, 2022

Ladjarafi, Abdelkader published the artcileA DFT study of the tautomeric equilibria of substituted pyridone-like derivatives: Sulphur versus oxygen and imino effect, Formula: C6H8N2, the publication is Journal of Molecular Structure: THEOCHEM (2004), 709(1-3), 129-134, database is CAplus.

Several pyridone-like compounds, where the extracyclic oxygen atom has been replaced by a sulfur atom or an imino NH group, have been studied using B3LYP/6-311 + G** calculations We found that the NH substituted species differ from the other ones: a single tautomeric form, i.e. the aminopyridine one, strongly dominates either in the gas phase or in the presence of a polar solvent like DMSO. In the gas phase or in solution, pyridinethiol species are more favored than the pyridinol ones relatively to their corresponding tautomers. The zero point vibration energy and the entropic contribution to the free energy of the reaction play a more determining role for the sulfur containing species.

Journal of Molecular Structure: THEOCHEM published new progress about 18437-58-6. 18437-58-6 belongs to pyridine-derivatives, auxiliary class Pyridine,Amine, name is 4-Amino-2-picoline, and the molecular formula is C6H8N2, Formula: C6H8N2.

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

Radunsky, Christian published the artcileA Family of Hydrazone-Based Nucleosides for Use in Metal-Mediated Base Pairs, COA of Formula: C11H10N4, the publication is Zeitschrift fuer Anorganische und Allgemeine Chemie (2013), 639(8-9), 1621-1627, database is CAplus.

A new family of hydrazone-based nucleosides for use in metal-mediated base pairs was devised. The artificial nucleobases are derivatives of the papy ligand (papy = pyridinecarboxaldehyde-2′-pyridylhydrazone). By replacing the pendant pyridine moiety in papy by furan and thiophene, resp., tridentate nucleosides with N, N, N-, N, N, O- and N, N, S-donor sites were obtained. As only a few transition metal complexes with pendant furan ligands are reported, a model nucleobase (furancarboxaldehyde-2′-pyridylhydrazone) for the N,N,O-donor nucleoside was synthesized. The mol. structures of its Cu²⁺, Ni²⁺, and Co²⁺ complexes are reported. In all complexes, only weak M-O(furan) bonding is observed The Co²⁺ complex displays a pentagonal bipyramidal coordination arrangement. In general, the structures of the metal complexes suggest that the resp. nucleosides can be applied in metal-mediated base pairs.

Zeitschrift fuer Anorganische und Allgemeine Chemie published new progress about 2215-33-0. 2215-33-0 belongs to pyridine-derivatives, auxiliary class Pyridine,Amine, name is 2-((2-(Pyridin-2-yl)hydrazono)methyl)pyridine, and the molecular formula is C11H10N4, COA of Formula: C11H10N4.

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

Santana-Mateos, Marta published the artcileClinical and Pharmacological Parameters Determine Relapse During Clopidogrel Treatment of Acute Coronary Syndrome, Product Details of C17H18N2O6, the publication is Journal of Clinical Pharmacology (2022), 62(6), 783-791, database is CAplus and MEDLINE.

The therapeutic efficacy of clopidogrel as an antiplatelet drug varies among individuals, being the mainstream hypothesis that its bioavailability depends on the individual genetic background and/or interactions with other drugs. A total of 477 patients receiving double antiaggregation therapy with aspirin and clopidogrel, after suffering a first event, were followed for 1 yr to record relapse, as a surrogate end point to measure their therapeutic response, as defined by presenting with an acute coronary event (unstable angina, ST-segment-elevation myocardial infarction, or non-ST-segment-elevation myocardial infarction), stent thrombosis/restenosis, or cardiac mortality. Anthropometric, clin., and pharmacol. variables along with CYP2C19 genotypes were analyzed for their association with the disease relapse phenotype. Only 75 patients (15%) suffered a relapse, which occurred during the first 6 mo of therapy, with a peak at 4.5 mo. An initial univariate anal. identified that patients in the relapse group were significantly older (67.4 ± 11.0 vs 61.6 ± 12.3 years old) and presented with diffuse coronary disease, insulin-dependent type 2 diabetes mellitus dyslipidemia, and arterial hypertension. A poor clin. response to the platelet antiaggregation regime also occurred more frequently among patients taking acenocoumarol and calcium channel blockers, along with aspirin and clopidogrel, while no association was found according to CYP2C19 genotypes. A retrospective multivariate anal. indicated that patients belonging to the nonresponder phenotype to treatment with aspirin and clopidogrel were older, presented with diffuse coronary disease, a group largely overlapping with type 2 insulin-dependent diabetes mellitus, and were taking dihidropyrimidinic calcium channel blockers.

Journal of Clinical Pharmacology 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, Product Details of C17H18N2O6.

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

Kelly, Terence A. published the artcileNovel Non-Nucleoside Inhibitors of Human Immunodeficiency Virus Type 1 Reverse Transcriptase. 6. 2-Indol-3-yl- and 2-Azaindol-3-yldipyridodiazepinones, Quality Control of 192189-15-4, the publication is Journal of Medicinal Chemistry (1997), 40(15), 2430-2433, database is CAplus and MEDLINE.

Modification of the non-nucleoside inhibitor of HIV-1 reverse transcriptase nevirapine (Viramune) by incorporation of a 2-indolyl substituent confers activity against several mutant forms of the enzyme.

Journal of Medicinal Chemistry published new progress about 192189-15-4. 192189-15-4 belongs to pyridine-derivatives, auxiliary class Other Aromatic Heterocyclic,Bromide,Amide, name is tert-Butyl 3-bromo-1H-pyrrolo[3,2-b]pyridine-1-carboxylate, and the molecular formula is C12H13BrN2O2, Quality Control of 192189-15-4.

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

Georgiou, Charis published the artcilePushing the Limits of Detection of Weak Binding Using Fragment-Based Drug Discovery: Identification of New Cyclophilin Binders, Formula: C5H5BrN2, the publication is Journal of Molecular Biology (2017), 429(16), 2556-2570, database is CAplus and MEDLINE.

Fragment-based drug discovery is an increasingly popular method to identify novel small-mol. drug candidates. One of the limitations of the approach is the difficulty of accurately characterizing weak binding events. This work reports a combination of X-ray diffraction, surface plasmon resonance experiments and mol. dynamics simulations for the characterization of binders to different isoforms of the cyclophilin (Cyp) protein family. Although several Cyp inhibitors have been reported in the literature, it has proven challenging to achieve high binding selectivity for different isoforms of this protein family. The present studies have led to the identification of several structurally novel fragments that bind to diverse Cyp isoforms in distinct pockets with low millimolar dissociation constants A detailed comparison of the merits and drawbacks of the exptl. and computational techniques is presented, and emerging strategies for designing ligands with enhanced isoform specificity are described.

Journal of Molecular Biology 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, Formula: C5H5BrN2.

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

Matthews, Thomas P. published the artcileDesign and evaluation of 3,6-di(hetero)aryl imidazo[1,2-a]pyrazines as inhibitors of checkpoint and other kinases, HPLC of Formula: 197958-29-5, the publication is Bioorganic & Medicinal Chemistry Letters (2010), 20(14), 4045-4049, database is CAplus and MEDLINE.

A range of 3,6-di(hetero)aryl imidazo[1,2-a]pyrazine ATP-competitive inhibitors, e.g. I and II, of CHK1 were developed by scaffold hopping from a weakly active screening hit. Efficient synthetic routes for parallel synthesis were developed to prepare analogs with improved potency and ligand efficiency against CHK1. Kinase profiling showed that the imidazo[1,2-a]pyrazines could inhibit other kinases, including CHK2 and ABL, with equivalent or better potency depending on the pendant substitution. These 3,6-di(hetero)aryl imidazo[1,2-a]pyrazines appear to represent a general kinase inhibitor scaffold.

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, HPLC of Formula: 197958-29-5.

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

Frankish, Neil H. published the artcileThe indane diastereoisomers, PH2 and PH5: divergence between their effects in delayed-type hypersensitivity models and a model of colitis, Computed Properties of 2215-33-0, the publication is Journal of Pharmacy and Pharmacology (2018), 70(1), 101-110, database is CAplus and MEDLINE.

Objectives : Compounds PH2 and PH5 are distereoisomers of novel indane compounds, synthesized as analogs of secondary metabolites of the fern, Onychium. In this study, we compare their effects on a variety of inflammatory models. Methods : In an effort to extend our knowledge of their anti-inflammatory profile, we have investigated their activity in two models of delayed-type hypersensitivity (DTH); the methylated bovine serum albumin model (mBSA) and the oxazolone contact hypersensitivity (CHS) model, on IL2 release from Jurkat cells and in the dextran sulfate sodium (DSS) murine model of inflammatory bowel disease. Key findings : Both diastereoisomers are equipotent in reducing paw swelling in the mBSA model and in inhibiting interleukin (IL) 2 release from Jurkat cells. They are equally ineffective in the oxazolone contact hypersensitivity model (CHS). Only the diastereoisomer, PH5, protects against DSS-induced colitis and of its two enantiomers, only the S,S-enantiomer, PH22, possesses this activity. PH2 is ineffective in the DSS model. Conclusions : The results suggest that the beneficial effect of PH5, and its enantiomer PH22, in the DSS model is a consequence of an action on a target specific to the colitis model. The implications of such data suggest an unknown target in this disease model that may be exploited to therapeutic advantage.

Journal of Pharmacy and Pharmacology published new progress about 2215-33-0. 2215-33-0 belongs to pyridine-derivatives, auxiliary class Pyridine,Amine, name is 2-((2-(Pyridin-2-yl)hydrazono)methyl)pyridine, and the molecular formula is C11H10N4, Computed Properties of 2215-33-0.

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

El Kadib, Abdelkrim published the artcileCross-Coupling in the Preparation of Pharmaceutically Relevant Substrates using Palladium Supported on Functionalized Mesoporous Silicas, Synthetic Route of 89076-64-2, the publication is ChemCatChem (2011), 3(8), 1281-1285, database is CAplus.

Palladium supported on organically functionalized mesoporous silicas is used to catalyze carbon-carbon cross-coupling reactions including Suzuki-Miyaura reaction and Sonogashira reaction. High yields with low to moderate metal contamination were obtained for various substrates including pyridyl substrates, thiophenes, and pharmaceutical precursors. Products were obtained with palladium loadings that were sufficient to pass muster without further scavenging in the case of Suzuki-Miyaura couplings. The secondary scavenging of products from Sonogashira reaction is necessary.

ChemCatChem 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, Synthetic Route of 89076-64-2.

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

Deng, Tianning published the artcileOxidation of Non-Activated Anilines to Generate N-Aryl Nitrenoids, Recommanded Product: 2-Bromopyridin-3-amine, the publication is Journal of the American Chemical Society (2020), 142(9), 4456-4463, database is CAplus and MEDLINE.

A low temperature, protecting group-free oxidation of 2-substituted anilines was developed to generate an electrophilic N-aryl nitrenoid intermediate that can engage in C-NAr bond formation to constructed functionalized N-heterocycles. Exposure of 2-substituted anilines to PIFA and trifluoroacetic acid or 10 mol % of Sc(OTf)₃ triggers nitrenoid formation, followed by productive and selective C-NAr and C-C bond formation to yield spirocyclic- or bicyclic 3H-indoles or benzazepinones. Our experiments demonstrated the breadth of these oxidative processes, uncover underlying fundamental elements that control selectivity and demonstrate how the distinct reactivity patterns embedded in N-aryl nitrenoid reactive intermediates can enable access to functionalized 3H-indoles or benzazepinones.

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, Recommanded Product: 2-Bromopyridin-3-amine.

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

Roca-Sabio, Adrian published the artcileThe effect of ring size variation on the structure and stability of lanthanide(III) complexes with crown ethers containing picolinate pendants, Synthetic Route of 1128304-86-8, the publication is Dalton Transactions (2011), 40(2), 384-392, database is CAplus and MEDLINE.

The coordination properties of the macrocyclic receptor N,N’-bis(6-carboxy-2-pyridylmethyl)-1,10-diaza-15-crown-5 (H₂bp15c5) towards the lanthanide ions are reported. Thermodn. stability constants were determined by pH-potentiometric titration at 25° in 0.1M KCl. A smooth decrease in complex stability is observed upon decreasing the ionic radius of the Ln^III ion from La [log K_LaL = 12.52(2)] to Lu [log K_LuL = 10.03(6)]. Luminescence lifetime measurements recorded on solutions of the Eu^III and Tb^III complexes confirm the absence of inner-sphere H₂O mols. in these complexes. ¹H and ¹³C NMR spectra of the complexes formed with the diamagnetic La^III metal ion were obtained in D₂O solution and assigned with the aid of HSQC and HMBC 2-dimensional heteronuclear experiments, as well as standard 2-dimensional homonuclear COSY and NOESY spectra. The ¹H NMR spectra of the paramagnetic Ce^III, Eu^III and Yb^III complex suggest nonadentate binding of the ligand to the metal ion. The syn conformation of the ligand in [Ln(bp15c5)]⁺ complexes implies the occurrence of two helicities, one associated with the layout of the picolinate pendant arms (absolute configuration Δ or Λ), and the other to the five five-membered chelate rings formed by the binding of the crown moiety (absolute configuration δ or λ). A detailed conformational anal. performed with the aid of DFT calculations (B3LYP model) indicates that the complexes adopt a Λ(λδ)(δδλ) [or Δ(δλ)(λλδ)] conformation in aqueous solution The authors’ calculations show that the interaction between the Ln^III ion and several donor atoms of the crown moiety is weakened as the ionic radius of the metal ion decreases, in line with the decrease of complex stability observed on proceeding to the right across the lanthanide series.

Dalton Transactions published new progress about 1128304-86-8. 1128304-86-8 belongs to pyridine-derivatives, auxiliary class Pyridines, name is 6,6′-((1,4,10,13-Tetraoxa-7,16-diazacyclooctadecane-7,16-diyl)bis(methylene))dipicolinic acid, and the molecular formula is C26H36N4O8, Synthetic Route of 1128304-86-8.

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