Month: October 2022

《Cyclic Phosphopantothenic Acid Prodrugs for Treatment of Pantothenate Kinase-Associated Neurodegeneration》 was written by Auciello, Giulio; Di Marco, Annalise; Gonzalez Paz, Odalys; Malancona, Savina; Harper, Steven; Beconi, Maria; Rossetti, Ilaria; Ciammaichella, Alina; Fezzardi, Paola; Vecchi, Andrea; Bracacel, Elena; Cicero, Daniel; Monteagudo, Edith; Elbaum, Daniel. Recommanded Product: 2-(2-Hydroxyethyl)pyridine And the article was included in Journal of Medicinal Chemistry in 2020. The article conveys some information:

Mutations in the human PANK2 gene are implicated in neurodegenerative diseases such as pantothenate kinase-associated neurodegeneration (PKAN) and result in low levels of coenzyme-A (CoA) in the CNS due to impaired production of phosphopantothenic acid (PPA) from vitamin B5. Restoration of central PPA levels by delivery of exogenous PPA is a recent strategy to reactivate CoA biosynthesis in PKAN patients. Fosmetpantotenate is an oral PPA prodrug. We report here the development of a new PANk2-/- knockout model that allows CoA regeneration in brain cells to be evaluated and describe two new series of cyclic phosphate prodrugs of PPA capable of regenerating excellent levels of CoA in this system. A proof-of-concept study in mouse demonstrates the potential of this new class of prodrugs to deliver PPA to the brain following oral administration and confirms incorporation of the prodrug-derived PPA into CoA. In the part of experimental materials, we found many familiar compounds, such as 2-(2-Hydroxyethyl)pyridine(cas: 103-74-2Recommanded Product: 2-(2-Hydroxyethyl)pyridine)

2-(2-Hydroxyethyl)pyridine(cas: 103-74-2) belongs to pyridine. When pyridine is adsorbed on oxide surfaces or in porous materials, the following species are commonly observed: (i) pyridine coordinated to Lewis acid sites, (ii) pyridine H-bonded to weakly acidic hydroxyls, and (iii) protonated pyridine. At high coverage, physisorbed pyridine and protonated dimers can also be observed.Recommanded Product: 2-(2-Hydroxyethyl)pyridine

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Mambwe, Dickson; Kumar, Malkeet; Ferger, Richard; Taylor, Dale; Njoroge, Mathew; Coertzen, Dina; Reader, Janette; van der Watt, Mariette; Birkholtz, Lyn-Marie; Chibale, Kelly published their research in ACS Medicinal Chemistry Letters in 2021. The article was titled 《Structure-Activity Relationship Studies Reveal New Astemizole Analogues Active against Plasmodium falciparum In Vitro》.Quality Control of 2-(2-Hydroxyethyl)pyridine The article contains the following contents:

In the context of drug repositioning and expanding the existing structure-activity relationship around astemizole (AST), a new series of analogs were designed, synthesized, and evaluated for their antiplasmodium activity. Among 46 analogs tested, compounds 21, 30, and 33 displayed high activities against asexual blood stage parasites (PfNF54 IC50 = 0.025-0.043μM), whereas amide compound 46 addnl. showed activity against late-stage gametocytes (stage IV/V; PfLG IC50 = 0.6 ± 0.1μM) and 860-fold higher selectivity over hERG (46, SI = 43) compared to AST. Several analogs displaying high solubility (Sol > 100μM) and low cytotoxicity in the Chinese hamster ovary (SI > 148) cell line have also been identified. The results came from multiple reactions, including the reaction of 2-(2-Hydroxyethyl)pyridine(cas: 103-74-2Quality Control of 2-(2-Hydroxyethyl)pyridine)

2-(2-Hydroxyethyl)pyridine(cas: 103-74-2) belongs to pyridine. In industry and in the lab, pyridine is used as a reaction solvent, particularly when its basicity is useful, and as a starting material for synthesizing some herbicides, fungicides, and antiseptics.Quality Control of 2-(2-Hydroxyethyl)pyridine

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Koseki, Shiro; Yoshii, Masaki; Asada, Toshio; Fujimura, Yuichi; Matsushita, Takeshi; Yagi, Shigeyuki published their research in Journal of Physical Chemistry A in 2021. The article was titled 《Theoretical Design of Blue-Color Phosphorescent Complexes for Organic Light-Emitting Diodes: Emission Intensities and Nonradiative Transition Rate Constants in Ir(ppy)2(acac) Derivatives》.Computed Properties of C33H24IrN3 The article contains the following contents:

Theor. calculations of phosphorescent spectra and nonradiative transition (NRT) rate constants for S1 → T1, T1 → S0, and S1 → S0 were carried out to determine the best candidate for a blue-color phosphorescent complex among several derivatives of bis(2-phenylpyridine)(acetylacetonate)iridium(III). The geometries of the ground state (S0), the lowest triplet state (T1), and the lowest excited singlet state (S1) were optimized at the levels of d. functional theory, in which B3LYP functionals and SBKJC+p basis sets were used. The NRT rate constants were derived by using a generating function method within the displaced harmonic oscillator model. The results of the calculation for phosphorescence showed that the introduction of F and/or CN substituents at the 4′/6′-th and 5′-th sites in 2-phenylpyridinate (ppy) ligands, resp., causes a blue shift of the emission spectra. They also suggest that Ir(5-CN,6-F-ppy)2(acac), denoted 3(56) in the text, is a good candidate for a blue-color phosphorescent complex because a blue shift of emission spectra and a moderate intensity are obtained for phosphorescence and, furthermore, this complex is calculated to have a large rate constant for S1 → T1 and relatively smaller rate constants for T1 → S0 and S1 → S0 based on the calculations of spin-orbit coupling and nonadiabatic coupling constants The experimental process involved the reaction of fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6Computed Properties of C33H24IrN3)

fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6) belongs to pyridine. Pyridine is very deactivated towards electrophilic substitution with respect to benzene. For this reason classical formylation, using methods such as the Gattermann or Vilsmeier reactions, are not generally successful. Computed Properties of C33H24IrN3

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Spinck, Martin; Bischoff, Matthias; Lampe, Philipp; Meyer-Almes, Franz-Josef; Sievers, Sonja; Neumann, Heinz published an article in 2021. The article was titled 《Discovery of Dihydro-1,4-Benzoxazine Carboxamides as Potent and Highly Selective Inhibitors of Sirtuin-1》, and you may find the article in Journal of Medicinal Chemistry.Product Details of 31106-82-8 The information in the text is summarized as follows:

Sirtuins are signaling hubs orchestrating the cellular response to various stressors with roles in all major civilization diseases. Sirtuins remove acyl groups from lysine residues of proteins, thereby controlling their activity, turnover, and localization. The seven human sirtuins, SirT1-7, are closely related in structure, hindering the development of specific inhibitors. Screening 170,000 compounds, we identify and optimize SirT1-specific benzoxazine inhibitors, Sosbo, which rival the efficiency and surpass the selectivity of selisistat (EX527). The compounds inhibit the deacetylation of p53 in cultured cells, demonstrating their ability to permeate biol. membranes. Kinetic anal. of inhibition and docking studies reveal that the inhibitors bind to a complex of SirT1 and NAD, similar to selisistat. These new SirT1 inhibitors are valuable alternatives to selisistat in biochem. and cell biol. studies. Their greater selectivity may allow the development of better targeted drugs to combat SirT1 activity in diseases such as cancer, Huntington’s chorea, or anorexia. In the part of experimental materials, we found many familiar compounds, such as 2-(Bromomethyl)pyridine hydrobromide(cas: 31106-82-8Product Details of 31106-82-8)

2-(Bromomethyl)pyridine hydrobromide(cas: 31106-82-8) belongs to pyridine. Pyridines form stable salts with strong acids. Pyridine itself is often used to neutralize acid formed in a reaction and as a basic solvent. Product Details of 31106-82-8

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Sidorov, Evgeny V.; Bejar, Cynthia; Xu, Chao; Ray, Bappaditya; Gordon, David; Chainakul, Juliane; Sanghera, Dharambir K. published an article in 2021. The article was titled 《Novel Metabolites as Potential Indicators of Ischemic Infarction Volume: a Pilot Study》, and you may find the article in Translational Stroke Research.Electric Literature of C6H5NO2 The information in the text is summarized as follows:

Metabolomics may identify biomarkers for acute ischemic stroke (AIS). Previously, circulating metabolites were compared in AIS and healthy controls without accounting for stroke size. The goal of this study was to identify metabolites that associate with the volume of AIS. We prospectively analyzed 1554 serum metabolites in the acute (72 h) and chronic (3-6 mo) stages of 60 ischemic stroke patients. We calculated infarct volume using diffusion-weighted images with MR segmentation software and associated the volume with stage-specific metabolites, acute-to-chronic stage changes, and multiple mixed regression in metabolite concentrations using multivariate regression anal. We used the two-stage Benjamini and Hochberg (TSBH) procedure for multiple testing. Four unknown metabolites at the acute stage significantly associated with infarct volume: X24541, X24577, X24581, and X2482 (all p < 0.01). Nine metabolites at the chronic stage are significantly associated with infarct volume: indolpropinate, alpha ketoglutaramate, picolinate, X16087, X24637, X24576, X24577, X24582, X24581 (all p < 0.048). Infarct volume is also associated with significant changes in serum concentrations of twenty-seven metabolites, with p values from 0.01 to 1.48 x 10-7, and on five metabolites using mixed regression model. This prospective pilot study identified several metabolites associated with the volume of ischemic infarction. Confirmation of these findings on a larger dataset would help characterize putative pathways underlying the size of ischemic infarction and facilitate the identification of biomarkers or therapeutic targets. In the experiment, the researchers used many compounds, for example, Picolinic acid(cas: 98-98-6Electric Literature of C6H5NO2)

Picolinic acid(cas: 98-98-6) is used in the preparation of 2-Aminodihydro[1,3]thiazines as BACE 2 inhibitors and their preparation and use in the treatment of diabetes.Electric Literature of C6H5NO2

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Mehrabadi, Zohreh; Ahmadi, Sara; Gutierrez, Angel; Karimi, Mehdi; Hayati, Payam; Sharafi-Badr, Paria; Moaser, Azra Ghiasi; Rostamnia, Sadegh; Hasanzadeh, Amir; Khaksar, Samad; Rouhani, Shamila; Msagati, Titus A. M. published an article in 2021. The article was titled 《Morphologically controlled eco-friendly synthesis of a novel 2D Hg(II) metal-organic coordination polymer: Biological activities and DFT analysis》, and you may find the article in Journal of Molecular Structure.Formula: C6H5NO2 The information in the text is summarized as follows:

A series of mercury(II) metal-organic coordination polymers (Hg-MOCPs) with a general chem. formula [Hg(PicA)(N3)]n (PicA = 2-picolinic acid) were synthesized by controlling their morphol. using two methods including the branched tube and sonochem. ultrasonic-assisted (US). The effects of the sonication, the reaction time, the reactant concentrations, and temperature were examined on their effects in influencing the size and morphol. of the crystals. The findings have revealed that the concentrations of the reactants and the reaction time have a direct influence on the size and morphol. of the crystals. However, this study found that temperature and the sonication power have no control on the size and morphol. of the crystals. Hirshfeld Surface Anal. (HAS) was utilized to study the contribution of intermol. interactions in the formation of [Hg(PicA)(N3)]n. The prepared microcrystals of MOCPs were further analyzed by SEM to ascertain the surface morphol. and, PXRD, elemental anal. composition, and FT-IR spectroscopy to elucidate the functional groups of the prepared Hg-MOCPs. Also, d. functional theory (DFT) calculation was used to illustrate the electronic properties of the single crystal. The experimental process involved the reaction of Picolinic acid(cas: 98-98-6Formula: C6H5NO2)

Picolinic acid(cas: 98-98-6) is used in the preparation of 2-Aminodihydro[1,3]thiazines as BACE 2 inhibitors and their preparation and use in the treatment of diabetes.Formula: C6H5NO2

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Chu, Chiheng; Yang, Ji; Zhou, Xuechen; Huang, Dahong; Qi, Haifeng; Weon, Seunghyun; Li, Jianfeng; Elimelech, Menachem; Wang, Aiqin; Kim, Jae-Hong published an article in 2021. The article was titled 《Cobalt Single Atoms on Tetrapyridomacrocyclic Support for Efficient Peroxymonosulfate Activation》, and you may find the article in Environmental Science & Technology.Formula: C5H7N3 The information in the text is summarized as follows:

Transition-metal catalysts that can efficiently activate peroxide bonds have been extensively pursued for various applications including environmental remediation, chem. synthesis, and sensing. Here, we present pyridine-coordinated Co single atoms embedded in a polyaromatic macrostructure as a highly efficient peroxide-activation catalyst. The efficient catalytic production of reactive radicals through peroxymonosulfate activation was demonstrated by the rapid removal of model aqueous pollutants of environmental and public health concerns such as bisphenol A, without pH limitation and Co2+ leaching. The turnover frequency of the newly synthesized Co single-atom catalyst bound to tetrapyridomacrocyclic ligands was found to be 2 to 4 orders of magnitude greater than that of benchmark homogeneous (Co2+) and nanoparticulate (Co3O4) catalysts. Exptl. results and d. functional theory simulation suggest that the abundant π-conjugation in the polyaromatic support and strong metal-support electronic interaction allow the catalysts to effectively adsorb and activate the peroxide precursor. We further loaded the catalysts onto a widely used poly(vinylidene fluoride) microfiltration membrane and demonstrated that the model pollutants were oxidatively removed as they simply passed through the filter, suggesting the promise of utilizing this novel catalyst for realistic applications. After reading the article, we found that the author used 2,6-Diaminopyridine(cas: 141-86-6Formula: C5H7N3)

2,6-Diaminopyridine(cas: 141-86-6) belongs to pyridine. Pyridine and its simple derivatives are stable and relatively unreactive liquids, with strong penetrating odours that are unpleasant.Formula: C5H7N3

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

In 2022,Baran, Andrei; Babkova, Mariia; Petkus, Jana; Shubin, Kirill published an article in Applied Organometallic Chemistry. The title of the article was 《Suzuki-Miyaura arylation of 2,3-, 2,4-, 2,5-, and 3,4-dibromothiophenes》.Safety of Pyridin-3-ylboronic acid The author mentioned the following in the article:

A convenient and general method for Suzuki-Miyaura double cross-coupling of boronic acid with dibromothiophenes was developed to form diarylthiophenes I [Ar = Ph, 4-ClC6H4, 4-NCC6H4, etc.] using a simple and cheap catalytic system Pd(OAc)2/PPh3 in 95% EtOH. The overall efficiency of the catalytic process and slight excess of boronic acids allowed to suppress formation of side products and significantly simplify the purification of products. The experimental process involved the reaction of Pyridin-3-ylboronic acid(cas: 1692-25-7Safety of Pyridin-3-ylboronic acid)

Pyridin-3-ylboronic acid(cas: 1692-25-7) belongs to pyridine. Pyridine is very deactivated towards electrophilic substitution with respect to benzene. For this reason classical formylation, using methods such as the Gattermann or Vilsmeier reactions, are not generally successful. Safety of Pyridin-3-ylboronic acid

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

In 2022,Paul, Elisabeth R.; Schwieler, Lilly; Erhardt, Sophie; Boda, Sandra; Trepci, Ada; Kaempe, Robin; Asratian, Anna; Holm, Lovisa; Yngve, Adam; Dantzer, Robert; Heilig, Markus; Hamilton, J. Paul; Samuelsson, Martin published an article in Brain, Behavior, and Immunity. The title of the article was 《Peripheral and central kynurenine pathway abnormalities in major depression》.Application In Synthesis of Picolinic acid The author mentioned the following in the article:

Considerable data relate major depressive disorder (MDD) with aberrant immune system functioning. Pro-inflammatory cytokines facilitate metabolism of tryptophan along the kynurenine pathway (KP) putatively resulting in reduced neuroprotective and increased neurotoxic KP metabolites in MDD, in addition to modulating metabolic and immune function. This central nervous system hypothesis has, however, only been tested in the periphery. Here, we measured KP-metabolite levels in both plasma and cerebrospinal fluid (CSF) of depressed patients (n = 63/36 resp.) and healthy controls (n = 48/33). Further, we assessed the relation between KP abnormalities and brain-structure volumes, as well as body mass index (BMI), an index of metabolic disturbance associated with atypical depression. Plasma levels of picolinic acid (PIC), the kynurenic/quinolinic acid ratio (KYNA/QUIN), and PIC/QUIN were lower in MDD, but QUIN levels were increased. In the CSF, we found lower PIC in MDD. Confirming previous work, MDD patients had lower hippocampal, and amygdalar volumes Hippocampal and amygdalar volumes were correlated pos. with plasma KYNA/QUIN ratio in MDD patients. BMI was increased in the MDD group relative to the control group. Moreover, BMI was inversely correlated with plasma and CSF PIC and PIC/QUIN, and pos. correlated with plasma QUIN levels in MDD. Our results partially confirm previous peripheral KP findings and extend them to the CSF in MDD. We present the novel finding that abnormalities in KP metabolites are related to metabolic disturbances in depression, but the relation between KP metabolites and depression-associated brain atrophy might not be as direct as previously hypothesized. In addition to this study using Picolinic acid, there are many other studies that have used Picolinic acid(cas: 98-98-6Application In Synthesis of Picolinic acid) was used in this study.

Picolinic acid(cas: 98-98-6) is used in the preparation of 2-Aminodihydro[1,3]thiazines as BACE 2 inhibitors and their preparation and use in the treatment of diabetes.Application In Synthesis of Picolinic acid

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

In 2022,Khokhar, Deepali; Jadoun, Sapana; Arif, Rizwan; Jabin, Shagufta; Rathore, Dhirendra Singh published an article in Journal of Molecular Structure. The title of the article was 《Facile synthesis of the chemically oxidative grafted copolymer of 2,6-diaminopyridine (DAP) and thiophene (Th) for optoelectronic and antioxidant studies》.Electric Literature of C5H7N3 The author mentioned the following in the article:

The current preliminary investigation presents for the first time the synthesis of grafted copolymer Poly (DAP-g-Th) from 2,6-diaminopyridine (DAP) and thiophene (Th) via chem. oxidative copolymerization using ferric chloride as an oxidizing agent for enhancing its photoluminescence properties. Modifications via copolymerization were confirmed by optical, morphol., and spectral anal. through FT-IR, UV-Visible, XRD, fluorescence studies. Increased value of oscillator strength, molar extinction coefficient, and lowered bandgap were observed in the case of poly(DAP-g-Th). FT-IR results showing alteration in the properties of polymer lying intermediate between individual monomers confirming copolymerization Intermediate quantum yield value disclosing transformations in the electronic structure of the poly(DAP-g-Th). Morphol. studies also suggested the intermediate property of copolymer. Poly(DAP-g-Th) showed the best antioxidant activity against DPPH free radical assay and its IC50 value was reported 0.024 ± 0.001 mg/mL. The results came from multiple reactions, including the reaction of 2,6-Diaminopyridine(cas: 141-86-6Electric Literature of C5H7N3)

2,6-Diaminopyridine(cas: 141-86-6) belongs to pyridine. Pyridine and its simple derivatives are stable and relatively unreactive liquids, with strong penetrating odours that are unpleasant.Electric Literature of C5H7N3

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem