Day: October 21, 2022

Fizer, Maksym; Fizer, Oksana; Sidey, Vasyl; Mariychuk, Ruslan; Studenyak, Yaroslav published the artcile< Experimental and theoretical study on cetylpyridinium dipicrylamide - A promising ion-exchanger for cetylpyridinium selective electrodes>, SDS of cas: 123-03-5, the main research area is exptl theor cetylpyridinium dipicrylamide ion exchanger; cetylpyridinium phthalate ion selective electrode.

The cetylpyridinium (CP) dipicrylamide (DPA) ion pair was synthesized and characterized by the FTIR and NMR (1H and 13C) spectroscopy, theor. studied and tested as ion-exchanger for cetylpyridinium selective electrodes. The mol. dynamics and further DFT optimization indicate face-to-face π-π stacking interaction between pyridinium and 2,4,6-trinitrophenyl rings. The presence of weak interactions between hydrogens of cetyl chain and oxygens of nitro groups of DPA anion was confirmed by RDG function anal. Numeric reactivity descriptors computed at the B3LYP/6-31+G(d,p) level of theory show that CP-DPA has electrophilic character and can readily react with bases. Two fabricated electrodes with the CP-DPA ion-exchanger showed near-Nernstian responses towards CP chloride in the concentration range from 1 × 10-2 to 1 × 10-5 mol/L. In the case where di-Bu phthalate was used as plasticizer, the slope is 57.2 ± 1.3 mV/decade, whereas for the case of dioctyl phthalate the slope is 61.6 ± 1.2 mV/decade.

Journal of Molecular Structure published new progress about Density functional theory, B3LYP. 123-03-5 belongs to class pyridine-derivatives, and the molecular formula is C21H38ClN, SDS of cas: 123-03-5.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Duplantier, Allen J.; Becker, Stacey L.; Bohanon, Michael J.; Borzilleri, Kris A.; Chrunyk, Boris A.; Downs, James T.; Hu, Lain-Yen; El-Kattan, Ayman; James, Larry C.; Liu, Shenping; Lu, Jiemin; Maklad, Noha; Mansour, Mahmoud N.; Mente, Scot; Piotrowski, Mary A.; Sakya, Subas M.; Sheehan, Susan; Steyn, Stefanus J.; Strick, Christine A.; Williams, Victoria A.; Zhang, Lei published the artcile< Discovery, SAR, and Pharmacokinetics of a Novel 3-Hydroxyquinolin-2(1H)-one Series of Potent D-Amino Acid Oxidase (DAAO) Inhibitors>, COA of Formula: C6H6N2O, the main research area is amino acid oxidase inhibitor hydroxyquinolinone preparation SAR.

3-Hydroxyquinolin-2(1H)-one (2) was discovered by high throughput screening in a functional assay to be a potent inhibitor of human DAAO, and its binding affinity was confirmed in a Biacore assay. Cocrystn. of 2 with the human DAAO enzyme defined the binding site and guided the design of new analogs. The SAR, pharmacokinetics, brain exposure, and effects on cerebellum D-serine are described. Subsequent evaluation against the rat DAAO enzyme revealed a divergent SAR vs. the human enzyme and may explain the high exposures of drug necessary to achieve significant changes in rat or mouse cerebellum D-serine.

Journal of Medicinal Chemistry published new progress about Cerebellum. 55279-29-3 belongs to class pyridine-derivatives, and the molecular formula is C6H6N2O, COA of Formula: C6H6N2O.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Alper, Pinar; Erkisa, Merve; Genckal, Hasene Mutlu; Sahin, Saliha; Ulukaya, Engin; Ari, Ferda published the artcile< Synthesis, characterization, anticancer and antioxidant activity of new nickel(II) and copper(II) flavonoid complexes>, Recommanded Product: 2,2′-Bipyridine, the main research area is nickel copper naringenin quercetin bipyridine terpyridine flavonoid preparation; anticancer antioxidant activity nickel copper flavonoid complex.

Flavonoids are natural products which are known to have biol. activity for human health. In this study, new mixed ligand complexes of Ni(II) and Cu(II) were synthesized by using flavonoid (quercetin or naringenin) and heterocyclic imine (2,2′:6′,2”-terpyridine or 2,2′-bipyridine) ligands. The new complexes are [Ni(narH-1)(terpy)Cl].4H2O (1, nar = naringenin, terpy = 2,2′:6′,2”-terpyridine), [Cu(narH-1)(terpy)Cl].H2O (2), and [Cu(queH-1)(bpy)(O3N)].1.5H2O (3, que = quercetin, bpy = 2,2′-bipyridine). The structural features of the synthesized mixed ligand complexes were investigated using elemental anal., thermogravimetric anal., Fourier transform IR spectroscopy, magnetic susceptibility and molar conductivity measurements. The resulting data demonstrated an octahedral geometry for Complex 1 and Complex 2 and square pyramidal geometry for Complex 3. Antioxidant capacity and total phenolic content of Complexes 1-3 were measured by the Folin-Ciocalteu and ABTS methods. Antiproliferative effect of complexes were tested by SRB and ATP assays on MCF-7 (breast cancer), A549 (nonsmall cell lung cancer), PC-3 (prostate cancer) and HeLa (human cervical cancer) cell lines. Apoptosis was identified using by the fluorescence imaging, caspase cleaved cytokeratin-18 and flow cytometry anal. Complex 2 and 3 had high total phenolic content and antioxidant activity. Complex 2 was found to show selective cytotoxicity through the induction of apoptosis on MCF-7 cells with having a very low IC50 value (<0.8 μM; the half maximum inhibitory concentration) while its ligands showed much higher cytotoxicity (IC50 > 50 μM). In conclusion, Complex 2 is a highly promising and novel compound for breast cancer and warrants further animal experiments

Journal of Molecular Structure published new progress about Antioxidants. 366-18-7 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2, Recommanded Product: 2,2′-Bipyridine.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Pegu, David published the artcile< Analysis of molecular structure, vibrational spectra and electronic properties of 2-amino-3-nitro-6-picoline by density functional methods>, Recommanded Product: 2-Amino-3-nitro-6-picoline, the main research area is amino nitro picoline mol structure IR Raman electrostatic potential.

In the present study the geometrical parameters and vibrational spectroscopic properties of the compound 2-amino-3-nitro-6-picoline (2A3N6P) have been calculated by using Harteree-Fock and D. functional method (B3LYP) with 6-311++G(d,p) basis set. The calculated optimized structural parameters and the scaled frequencies are investigated and compared with earlier reported data. The complete vibrational assignment and anal. of the fundamental modes of the mol. were carried out. In addition, mol. electrostatic potential and total electron d. has been analyzed to investigate size, shape, charge d. distribution and site on chem. reactivity of the mol. Finally the Mullikan at. charges of the compound have been studied.

Pharma Chemica published new progress about Atomic charge. 21901-29-1 belongs to class pyridine-derivatives, and the molecular formula is C6H7N3O2, Recommanded Product: 2-Amino-3-nitro-6-picoline.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Rechitskaya, E. D.; Kuratieva, N. V.; Lider, E. V.; Eremina, J. A.; Klyushova, L. S.; Eltsov, I. V.; Kostin, G. A. published the artcile< Tuning of cytotoxic activity by bio-mimetic ligands in ruthenium nitrosyl complexes>, Application In Synthesis of 93-60-7, the main research area is ruthenium nitrosyl isonicotinate nicotinate complex preparation cytotoxic activity; crystal structure ruthenium nitrosyl isonicotinate nicotinate complex.

Three novel ruthenium nitrosyl complexes [Ru(NO)Cl3(InicMe)2] (1b), [RuNOCl3(NicEt)2] (1c) and [RuNOCl3(NicMe)2] (1d) (InicMe = Me isonicotinate, NicEt = Et nicotinate, NicMe = = Me nicotinate)were prepared and crystal structure of the complexes were determined by single crystal XRD anal. In all complexes, the organic ligands are coordinated by a pyridine nitrogen atom and located in trans-position each to other and in cis-position to NO group. In the crystal package of all compounds stacking interactions of two types were determined: πarene-πarene and πCOO-πarene stacking. Finally, cytotoxicity of the compounds was tested on Hep2 and HepG2 cell lines. In the set of similar compounds mer-[RuNO(L)2Cl3] (L = Py, γ-Pic, β-Pic, Inic-Alk, Nic-Alk), complexes with iso-nicotinic acid esters are the most toxic, while nicotinic acid derivatives are less toxic and compared with pyridine complex.

Journal of Molecular Structure published new progress about Antitumor agents. 93-60-7 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO2, Application In Synthesis of 93-60-7.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Willems, J. published the artcile< Aliphatic hydroxysulfonic acids and their internal esters: the sultones. II. The sultones>, Formula: C9H13NO3S, the main research area is .

CHR.(CH2)n.CHR’.SO2 (I) were prepared by concentration of an alc. solution of HOCHR(CH2)nCHR’SO3H (II) (from treating the Na salt in alc. with dry HCl) and distillation in vacuo (those of high mol. weight may decompose), by addition of Butyl Cellosolve (III) to the concentrated solution, distillation at 760 mm. until the b.p. (170°) of III is reached, and rectification in vacuo, and by addition of the alc. solution of II dropwise to boiling, stirred xylene (3 l. per mol), and the H2O distilled off as an azeotropic mixture of H2O-alc.-xylene until the b.p. of xylene is reached, the volume kept constant by dropwise addition of xylene, the solution cooled, washed with 2% NaHCO3 (important to keep from decomposition), and with H2O, dried, and the I obtained by distillation or precipitation with ligroine. The last method is generally applicable, simplest, and gives the best yields. The rate of reaction is not influenced by the pH, or by dehydrating agents. The reaction takes place near 150°, and not in low-boiling diluents, e.g. C6H6. 5- and 6-membered sultone rings are easily formed, and a 7-membered ring was obtained, but I could not be formed when n = 2 or 11. The following derivatives of I were prepared [R, n, R’, b.p./mm., m.p., d25, n25, M R, and m.p. of the corresponding pyridinoalkylsulfonic acid betaine (from boiling I in excess C5H5N), and its crystallizing solvent given]: H, 1, H (IV), 121°/1 (140°/8), 31°, -, -, -, 261°, alc.-H2O; H, 2, H (V), 153°/14, 15°, 1.3319, 1.4615, 28.15, 239°, isoamyl alc.; Me, 1, H (VI), 124°/2 (157.5°/14), -, 1.2929, 1.4500, 28.20, 240°, EtOH; H, 1, Me (VII), 124°/1.5, -, 1.3004, 1.4525, 28.24, 246°, MeOH; Me, 1, Me, 129°/1, -, 1.2220, 1.4511, 33.00, 270-71°, EtOH; H, 3, H (VIII), 155-6°/2, -, 1.2542, 1.4605, 32.65, 233-4°, EtOH; Me, 1, Pr (IX), 143-3.5°/4.2, -, 1.3359, 1.4520, 42.10, 230-32°, BuOH-Et2O; Bu, 1, H, 141°/2, -, -, -, -, 262-3°, EtOH-Et2O; Pr, 2, H, 126°/0.4, -, -, -, -, 263-4°, EtOH-Et2O; Me2CH(CH2)2, 1, H, 130°/1.5, -, -, -, -, 229-30°, absolute EtOH-Et2O; Me, 1, Me(CH2)5, 145°/0.6, -, -, -, -, 185°, EtOH-Et2O; Me(CH2)7, 1, H, 160-3°/0.5, -, -, -, -, 222.5-3.0°, BuOH; Me, 1, Me(CH2)13, -, half solid oil, -, -, -, 155°, EtOH/Et2O; Me(CH2)15, 1, H, -, 81° (EtOH), -, -, -, 214-15°, absolute EtOH; Me, 1, Ph, -, 106° (EtOH), -, -, -, 295-6.5°, EtOH-H2O. Also prepared were: O.CHMe.CH2.CMe2.SO2 (X), 160°/16, 50.5° (ligroine-Et2O), -, -, -, 253-4°, AmOH; O.CHMe.CHMe.CHPr.SO2, 128°/1.5, -, -, -, -, 245-6°, BuOH; O.CHMe.CHMe.CH[(CH2)5Me].SO2, 155°/1.5, -, -, -, -, -, – (C5H5N derivative very hygroscopic). Anilino sulfonic acids (PhNHCHRCH2CHR’SO3H) were prepared quant. by boiling equivalent amounts of PhNH2 and the following sultones 3-4 h. in C6H6 (m.p. of the PhNH derivative and crystallizing solvent given): IV, 248-9°, 90% EtOH; VI, 276-8°, H2O; VII, 254°, MeOH; X, 267-8°, EtOH; IX, 235.5-6°, BuOH. The reactions with PhNH2 and C5H5N show I to be alkylating agents, which provide a method for introducing the SO3 group and the attendant H2O solubility into certain compounds Also 1.g. IV mixed in a mortar with 1.09 g. p-H2NC6H4OH, the mixture heated 30 min. on the H2O bath, boiled with Me2CO to remove unreacted p-H2NC6H4OH, and crystallized from H2O, yielded 83% p-HOC6H4NH(CH2)3SO3H, m. 249°; 1.36 g. V boiled 6 h. in 25 cc. xylene with 1.29 g. octylamine gave Me(CH2)7NH(CH2)4SO3H.H2O, m. 172-3°. V (2.72 g.) with 2.88 g. β-naphthol in 0.8 g. NaOH solution precipitated immediately β-C10H7O(CH2)4CO3Na (beautiful crystals from EtOH-H2O). Similarly, VIII yielded 93% β-C10H7O(CH2)5SO3Na. The sultones keep their sulfoalkylating properties when reacting with RMgBr. V (13.6 g.) in absolute Et2O, dropped into Et2O containing EtMgBr (from 10.9 g. EtBr and 3 g. Mg) yielded 60% Me(CH2)5SO3K (phenylhydrazine salt, m. 101.5-2°, gave no depression of the m.p. of an authentic sample).

Bulletin des Societes Chimiques Belges published new progress about Lactones, sultones. 21876-43-7 belongs to class pyridine-derivatives, and the molecular formula is C9H13NO3S, Formula: C9H13NO3S.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Potapov, Vladimir A.; Ishigeev, Roman S.; Amosova, Svetlana V.; Borodina, Tatyana N. published the artcile< Synthesis of a novel family of water-soluble 2H,3H-[1,3]thia- and -selenazolo[3,2-a]pyridin-4-ium heterocycles by annulation reactions>, Quality Control of 2127-03-9, the main research area is thia selenazolopyridinium heterocycle preparation annulation.

Regioselective synthesis of a novel family of water-soluble 2H,3H-[1,3]chalcogenazolo[3,2-a]pyridin-4-ium derivatives was developed based on 2-pyridinesulfenyl and -selenenyl halides and unsaturated compounds The annulation reactions with divinyl sulfide, selenide and N-vinylpyrrolidin-2-one led to addition of the chalcogen atom to the terminal carbon of the double bond whereas the reaction with tetravinylsilane proceeded with opposite regiochem. Tricyclic condensed heterocycles were obtained from 2,3-dihydrofuran and cycloalkenes. The products represent novel promising scaffolds for organic synthesis and possible drug discovery.

Tetrahedron Letters published new progress about Azoles Role: PRP (Properties), SPN (Synthetic Preparation), PREP (Preparation). 2127-03-9 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2S2, Quality Control of 2127-03-9.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Zhang, Guoqi; Cheng, Jessica; Davis, Kezia; Bonifacio, Mary Grace; Zajaczkowski, Cynthia published the artcile< Practical and selective hydroboration of aldehydes and ketones in air catalysed by an iron(II) coordination polymer>, Product Details of C7H7NO, the main research area is hydroboration aldehyde ketone green chem iron coordination polymer catalyst.

The in air catalytic hydroboration of ketones and aldehydes with pinacolborane by an iron(II) coordination polymer (CP) is carried out under mild and solvent-free conditions. The precatalyst is highly active towards a wide range of substrates including functionalized ketones and aldehydes in the presence of KOtBu as an activator, achieving a high turnover number (TON) of up to 9500. Excellent chemoselectivity to aldehydes over ketones was also revealed, which is in sharp contrast with the results obtained under inert atm. using the same catalyst system. This catalyst observed here is not only highly efficient but also recyclable for reuse for at least 5 times without losing its effectiveness.

Green Chemistry published new progress about Alcohols Role: SPN (Synthetic Preparation), PREP (Preparation). 350-03-8 belongs to class pyridine-derivatives, and the molecular formula is C7H7NO, Product Details of C7H7NO.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Duong, Thi-Mai Huong; Nobusue, Shunpei; Tada, Hirokazu published the artcile< Preparation of perovskite-derived one dimensional single crystals based on edge-shared octahedrons with pyridine derivatives>, HPLC of Formula: 3731-53-1, the main research area is lead pyridine derivative iodo complex perovskite preparation crystal structure; optical band gap lead pyridine derivative iodo complex perovskite.

Single crystals of hybrid materials based on 1D lead iodide perovskite networks with 2 pyridine (Py) derivatives, 4-Et (4Et)Py and 4-aminomethyl (4AM)Py, were prepared The compounds assembled into edge-shared lead iodide chains that formed needle-shaped crystals with lengths >1 cm. The crystal containing (4Et)Py formed in the triclinic system with P1 symmetry. The mols. were stacked along with the novel triple chain of 1D perovskite-derived networks. The crystal containing 4AMPy formed in the monoclinic system with P21/a symmetry. The amino group formed H bonds to I-. The optical band gaps for the 4EtPy-based and 4AMPy-based crystals are 2.73 eV and 2.64 eV, resp. The slight difference between the functional groups of the 2 mols. governed their crystal structures and hence optical properties.

Journal of Crystal Growth published new progress about Crystal structure. 3731-53-1 belongs to class pyridine-derivatives, and the molecular formula is C6H8N2, HPLC of Formula: 3731-53-1.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Hansen-Felby, Magnus; Sommerfeldt, Andreas; Henriksen, Martin Lahn; Pedersen, Steen Uttrup; Daasbjerg, Kim published the artcile< Synthesis and depolymerization of self-immolative poly(disulfide)s with saturated aliphatic backbones>, Reference of 2127-03-9, the main research area is polydisulfide saturated aliphatic backbone depolymerization.

Self-immolative polymers (SIPs) are a class of degradable stimuli-responsive polymers, which, upon removal of labile end-caps, depolymerize selectively and stepwise to small mols. In light of our recent discovery of poly(dithiothreitol) (pDTT), a versatile SIP with a remarkably simple synthesis procedure, we investigated a broader range of unfunctionalized poly(disulfide)s. It is demonstrated that saturated aliphatic backbones can easily be made from 1,4-butanedithiol, 1,5-pentanedithiol, and 1,6-hexanedithiol monomers and, compared with pDTT, these polymers show enhanced stability, solubility, and processability. SIP polymers derived from the smaller 1,3-propanedithiol monomer with end-caps installed could not be synthesized. Polymers of 1,4-butanedithiol and 1,5-pentanedithiol undergo end-to-end depolymerizations upon end-cap removal, taking hours to days under basic conditions and not minutes as for pDTT. Degradation of the polymer of 1,6-hexanedithiol occurs by less well-defined pathways providing a complex product mixture of macrocyclic disulfides.

Polymer Chemistry published new progress about Crystallinity. 2127-03-9 belongs to class pyridine-derivatives, and the molecular formula is C10H8N2S2, Reference of 2127-03-9.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem