Month: October 2022

Reina, Miguel; Hernandez-Ayala, Luis Felipe; Bravo-Gomez, Maria Elena; Gomez, Virginia; Ruiz-Azuara, Lena published their research in Inorganica Chimica Acta in 2021. The article was titled 《Second generation of Casiopeinas: A joint experimental and theoretical study》.Recommanded Product: 1134-35-6 The article contains the following contents:

Herein, we present the synthesis, characterization, DFT calculations and in vitro evaluation of antiproliferative activity against HeLa and MCF-7 cancer tumor cell lines of three novel second generation Casiopeinas complexes. These compounds are characterized by the substitution of the usual neg. charged secondary ligand with a neutral bidentate ligand (2AMB = 2-aminomethylbenzimidazole), in order to improve both hydrophilicity and antiproliferative activity. Geometry for the compounds in this study assumes that complexes present a five-coordination number with a square pyramidal geometry, in which two bidentate ligands are in the plane and a nitrate anion is bonded in the axial position. Among analyzed complexes, only [Cu(4,7-dimethyl-1,10-phenanthroline)(2AMB)(NO3)]NO3 (1) is shown to be more effective than the referenced cisplatin drug, against both HeLa and MCF-7 tumor cell lines. Finally, for studied compounds, structure-activity relationships are strongly determined by either the calculated molar volume (V) or the redox potential (E1/2) of CuII/CuI of the complexes. These results aim to encourage further joint exptl. theor. studies, not only to describe biol. activity, but also to predict it. The experimental part of the paper was very detailed, including the reaction process of 4,4′-Dimethyl-2,2′-bipyridine(cas: 1134-35-6Recommanded Product: 1134-35-6)

4,4′-Dimethyl-2,2′-bipyridine(cas: 1134-35-6) is used as a chemical Intermediate. It can be used for the determination of ferrous and cyanide compounds.Recommanded Product: 1134-35-6 Furthermore, 4,4′-Dimethyl-2,2′-bipyridine is used in the synthesis of a series of o-phenanthroline-substituted ruthenium(II) complexes.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

In 2022,Arroyo Negrete, Missael Antonio; Wrobel, Kazimierz; Yanez Barrientos, Eunice; Corrales Escobosa, Alma Rosa; Enciso Donis, Israel; Wrobel, Katarzyna published an article in Talanta. The title of the article was 《Determination of chromium(III) picolinate in dietary supplements by flow injection – electrospray ionization – tandem mass spectrometry, using cobalt(II) picolinate as internal standard》.Application In Synthesis of Picolinic acid The author mentioned the following in the article:

In this work, a principle of flow injection anal. (FIA) was applied for sample introduction to an electrospray ionization – ion trap mass spectrometer (ESI-ITMS) with the aim to quantify chromium(III) picolinate (CrPic3) in com. supplements by multiple reaction monitoring, and using cobalt(II) picolinate as internal standard (IS). FIA system was operated with ammonium formate 10 mmol L-1 in methanol-water (1:1, volume/volume) as a carrier solution at a flow rate 200μL min-1; 100μL injections were performed in 2-min intervals. Setting ion transitions m/z 419 → 270 and 304 → 260 for the analyte and IS, resp., and 100 ms integration time, the method detection and quantification limits 12 ng g-1 and 40 ng g-1 of Cr (as CrPic3) in the air-dried powder. Acetonitrile extracts of the real-world samples presented varying from sample-to-sample chem. composition and IS efficiently compensated for ionization interferences. Mean results from triplicate anal. of four different supplements were obtained with relative standard deviation 0.1-4.0%, indicating acceptable precision. Trueness of the proposed FIA-ESI-ITMS/MS procedure was demonstrated by 95.8-108% percentage recoveries attained in the anal. of the CrPic3-spiked samples. For comparative purposes, total Cr was determined by ICP-MS. The quant. results obtained indicate the necessity of anal. control of Cr(III) supplements com. available and demonstrate that the proposed FIA-ESI-ITMS/MS procedure is well-suited for the determination of CrPic3 in such products. After reading the article, we found that the author used Picolinic acid(cas: 98-98-6Application In Synthesis of Picolinic acid)

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,Pisacic, Mateja; Kodrin, Ivan; Trninic, Amanda; Djakovic, Marijana published an article in Chemistry of Materials. The title of the article was 《Two-Dimensional Anisotropic Flexibility of Mechanically Responsive Crystalline Cadmium(II) Coordination Polymers》.Formula: C6H4N2 The author mentioned the following in the article:

Crystals of a family of six one-dimensional (1D) coordination polymers of cadmium(II) with cyanopyridines ([CdX2L2]n; X = Cl, Br, I; L = 3-cyanopyridine, 3-CNpy, 4-cyanopyridine, 4-CNpy) presented a variety of morphologies and mech. responses with dominant 2D-anisotropic flexibility, which has not been previously reported. All mech. adaptable crystals were 2D flexible and they displayed a variety of direction-dependent responses; in addition to 2D-isotropic flexibility observed for solely elastic materials, 2D-anisotropic flexibility was noticed for both elastic and elastic → plastic crystals. The consequences of fine and controlled structural variations on mech. behavior were addnl. explored via microfocus SCXRD and complementary theor. studies, revealing that the relative strength and direction of the hydrogen bonding interactions were the key parameters in delivering a specific mech. response. In the experiment, the researchers used many compounds, for example, 4-Cyanopyridine(cas: 100-48-1Formula: C6H4N2)

4-Cyanopyridine(cas: 100-48-1) 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. Formula: C6H4N2

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

In 2022,Giordana, Alessia; Priola, Emanuele; Pantaleone, Stefano; Andreo, Luca; Mortati, Leonardo; Benzi, Paola; Operti, Lorenza; Diana, Eliano published an article in Dalton Transactions. The title of the article was 《HgBrI: a possible tecton for NLO molecular materials?》.Reference of 4,4′-Dimethyl-2,2′-bipyridine The author mentioned the following in the article:

Mixed Hg(II) halides were known for a long time as good NLO (nonlinear optic) materials. The NLO properties are due to the halogen disposition in the solid state and the electron distribution among the bonds formed by soft elements. The possibility of using HgBrI as a asym. tecton in the preparation of noncentrosym. crystalline compounds was studied by exploiting the coordinating power of Hg(II) toward N-donor ligands, and 7 coordination complexes were obtained. To unravel the nature of these complex systems the authors combined the data from different techniques: Raman spectroscopy, SC-XRD and Second Harmonic Generation, supported by a periodic DFT computational approach. In HgBrI crystalline products with low symmetry, the presence of substitutional disorder leads to a lack of the inversion center conferring NLO activity, which is absent in analogous complexes of Hg(II) halides. These results indicate HgBrI as an interesting tecton to obtain metallorg. NLO materials. After reading the article, we found that the author used 4,4′-Dimethyl-2,2′-bipyridine(cas: 1134-35-6Reference of 4,4′-Dimethyl-2,2′-bipyridine)

4,4′-Dimethyl-2,2′-bipyridine(cas: 1134-35-6) is used as a chemical Intermediate. It can be used for the determination of ferrous and cyanide compounds.Reference of 4,4′-Dimethyl-2,2′-bipyridine Furthermore, 4,4′-Dimethyl-2,2′-bipyridine is used in the synthesis of a series of o-phenanthroline-substituted ruthenium(II) complexes.

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

COA of Formula: C6H5NO2In 2022 ,《Synthesis and Evaluation of Novel 111In-Labeled Picolinic Acid-Based Radioligands Containing an Albumin Binder for Development of a Radiotheranostic Platform》 appeared in Molecular Pharmaceutics. The author of the article were Iikuni, Shimpei; Tarumizu, Yuta; Tsuchihashi, Shohei; Ohara, Takaki; Watanabe, Hiroyuki; Ono, Masahiro. The article conveys some information:

Picolinic acid-based metallic chelators, e.g., neunpa and octapa, have attracted much attention as promising scaffolds for radiotheranostic agents, particularly those containing larger α-emitting radiometals. Furthermore, albumin binder (ALB) moieties, which noncovalently bind to albumin, have been utilized to improve the pharmacokinetics of radioligands targeting various biomols. In this study, we designed and synthesized novel neunpa and octapa derivatives (Neunpa-2 and Octapa-2, resp.), which contained a prostate-specific membrane antigen (PSMA)-binding moiety (model targeting vector) and an ALB moiety. We evaluated the fundamental properties of these derivatives as radiotheranostic agents using 111In. In a cell-binding assay using LNCaP (PSMA-pos.) cells, [111In]In-Neunpa-2 and [111In]In-Octapa-2 specifically bound to the LNCaP cells. In addition, a human serum albumin (HSA)-binding assay revealed that [111In]In-Neunpa-2 and [111In]In-Octapa-2 exhibited greater binding to HSA than their non-ALB-conjugated counterparts ([111In]In-Neunpa-1 and [111In]In-Octapa-1, resp.). A biodistribution assay conducted in LNCaP tumor-bearing mice showed that the introduction of the ALB moiety into the 111In-labeled neunpa and octapa derivatives resulted in markedly enhanced tumor uptake and retention of the radioligands. Furthermore, single-photon emission computed tomog. imaging of LNCaP tumor-bearing mice with [111In]In-Octapa-2 produced tumor images. These results indicate that [111In]In-Octapa-2 may be a useful PSMA imaging probe and that picolinic acid-based ALB-conjugated radiometallic complexes may be promising candidates as radiotheranostic agents. In the experiment, the researchers used Picolinic acid(cas: 98-98-6COA of Formula: C6H5NO2)

Picolinic acid(cas: 98-98-6) is used as a chelate for alkaline earth metals. Used to prepare picolinato ligated transition metal complexes. In synthetic organic chemistry, has been used as a substrate in the Mitsunobu reaction and in the Hammick reaction.COA of Formula: C6H5NO2

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Safety of 4-EthynylpyridineIn 2022 ,《Study on “”Click”” assembly of novel dual inhibitors of AChE and MAO-B from pyridoxine derivatives for the treatment of Alzheimer’s disease》 appeared in Heterocyclic Communications. The author of the article were Jia, Zhao; Wen, Huiyun; Huang, Saipeng; Luo, Yane; Gao, Juanjuan; Wang, Ruijie; Wan, Kaikai; Xue, Weiming. The article conveys some information:

This study fast synthesizes numerous functionalized pyridoxines I [R = Ph, 4-fluorophenyl, 3-aminophenyl, etc.] using click chem. and assayed in vitro as inhibitors of the acetylcholinesterase (AChE), butyrylcholinesterase, and two monoamine oxidase (MAO) isoforms, MAO-A and MAO-B. Most of the obtained compounds demonstrated good AChE and selective MAO-B inhibitory activities in the micromolar range, especially one compound, called I [R = 3-aminophenyl], exhibits excellent inhibitory performance against AChE (IC50 = 0.0816 ± 0.075μM) and MAO-B (IC50 = 0.039 ± 0.003μM). Finally, a docking study was carried out, demonstrating potential binding orientations and interactions of the compounds in terms of the AChE and MAO-B active sites. The results came from multiple reactions, including the reaction of 4-Ethynylpyridine(cas: 2510-22-7Safety of 4-Ethynylpyridine)

4-Ethynylpyridine(cas: 2510-22-7) belongs to pyridine. Pyridine and pyridine-derived structures are privileged pharmacophores in medicinal chemistry and an essential functionality for organic chemists. As the prototypical π-deficient heterocycle, pyridine illustrates distinctive chemistry as both substrate and reagent. Safety of 4-Ethynylpyridine

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Product Details of 141-86-6In 2021 ,《6-Amino-7-azaindole synthesis from 2,6-diaminopyridine and diols》 appeared in Tetrahedron Letters. The author of the article were Bou-Puerto, Amelia; Bellezza, Delia; Martinez-Morro, Carlota; Gonzalez-Sanchis, Nerea; Ballesteros, Rafael; Cunat, Ana C.; Ballesteros-Garrido, Rafael. The article conveys some information:

6-Amino-7-azaindoles were prepared by dehydrogenative condensation of 2,6-diaminopyridine with diols. In addition, the similar reactions of 2-aminopyridines gave the corresponding pyrrolo[3,2-b]pyrroles. All these transformations were performed using accessible heterogeneous catalysts (Pd/C and ZnO).2,6-Diaminopyridine(cas: 141-86-6Product Details of 141-86-6) was used in this study.

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.Product Details of 141-86-6

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

COA of Formula: C12H13N3In 2019 ,《Development of radiolabeled bis(zinc(II)-dipicolylamine) complexes for cell death imaging》 appeared in Annals of Nuclear Medicine. The author of the article were Aoki, Miho; Odani, Akira; Ogawa, Kazuma. The article conveys some information:

The present study aimed to develop novel radiolabeled ZnDPA derivatives for cell death imaging in tumor after treatment with anticancer drugs. Methods: [125I]IB-EG2-ZnDPA and [99mTc]Tc-MAG3-EG2-ZnDPA were designed and prepared Results: The radiochem. purities of [125I]IB-EG2-ZnDPA and [99mTc]Tc-MAG3-EG2-ZnDPA exceeded 95%. Although [125I]IB-EG2-ZnDPA gradually decomposing with time, more than 90% of [99mTc]Tc-MAG3-EG2-ZnDPA remained in its intact form in phosphate buffer through 6 h of incubation. Neither [125I]IB-EG2-ZnDPA nor [99mTc]Tc-MAG3-EG2-ZnDPA decomposed so much after 6-h incubation in murine plasma. [125I]IB-EG2-ZnDPA could not specifically recognize PS on the cell surface because of its high lipophilicity. Conversely, [99mTc]Tc-MAG3-EG2-ZnDPA accumulated in cancer cells after treatment with an anticancer drug both in vitro and in vivo, and its accumulation was correlated with the number of TUNEL-pos. cells. However, the biodistribution of [99mTc]Tc-MAG3-EG2-ZnDPA was not suitable for imaging because of its low accumulation in tumor and high uptake in abdomen organs. The experimental process involved the reaction of Bis(pyridin-2-ylmethyl)amine(cas: 1539-42-0COA of Formula: C12H13N3)

Bis(pyridin-2-ylmethyl)amine(cas: 1539-42-0) is a secondary amine with two picolyl substituents. The compound is a tridentate ligand in coordination chemistry and commonly used to produce Zn-based chemosensors/probes, such as Zinpry.COA of Formula: C12H13N3

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Application In Synthesis of 4-CyanopyridineIn 2021 ,《Can We Identify the Salt-Cocrystal Continuum State Using XPS?》 was published in Crystal Growth & Design. The article was written by Tothadi, Srinu; Shaikh, Tabrez Rafique; Gupta, Sharad; Dandela, Rambabu; Vinod, Chathakudath P.; Nangia, Ashwini K.. The article contains the following contents:

XPS is used to understand the nature of acid-base crystalline solids, to know whether the product is a salt (proton transfer, O-···H-N+) or cocrystal (neutral adduct, O-H···N). The present study was carried out to explore if intermediate states of proton transfer from COOH to Nitrogen (the proton resides in-between hydrogen bonded to O and N, O···H···N) can be differentiated from salt and cocrystal using N 1s XPS spectroscopy. The intermediate states of proton transfer arise when the pKa difference between the acid and the conjugate base is between -1 and 4, -1 <ΔpKa< 4, a situation common with COOH and pyridine functional groups present in drug mols. and pharmaceutically acceptable coformers. Complexes of pyridine N bases with aromatic COOH mols. in nine salts/cocrystals were cocrystd. and their N 1s core binding energy in XPS spectra were measured. The proton state was analyzed by single crystal X-ray diffraction. Three new complexes were crystallized and analyzed by XPS spectra (without knowing their X-ray structures), to assess the predictive ability of XPS spectra in differentiating salt-cocrystal intermediate states against the extremities. The XPS results were subsequently confirmed by single crystal X-ray data. 1:1 and 1:2 complexes of 3,5-dinitrobenzoic acid and isonicotinamide exist as salt and salt-cocrystal continuum, resp., as shown by the N 1s core binding energy. The proton states of the crystalline solids by XPS are in good agreement with the corresponding crystal structures. Other complexes, such as those of 3,5-dinitrobenzoic acid with 1,2-di(4-pyridyl)ethylene exhibit salt-cocrystal continuum, maleic acid with 1,2-di(4-pyridyl)ethylene and acridine are salts, 2-hydroxybenzoic acid and acridine is a salt, and complex of 3,5-dinitrobenzoic acid and 3-hydroxypyridine is a salt, while fumaric acid with 1,2-di(4-pyridyl)ethylene and acridine are cocrystals. Furthermore three new acid-base complexes of 3,5-dinitrobenzoic acid with phenazine, 4-hydroxypyridine and 4-cyanopyridine were studied initially by XPS and then confirmed by X-ray diffraction. In summary, since the N 1s binding energies cluster in a narrow range as cocrystal (398.9-399.6 eV) and salt (400.9-401.9 eV), it is possible to differentiate between neutral cocrystal and ionic salt, but the salt-cocrystal continuum values in XPS spectra are not clustered in a distinct intermediate range of energy to be of predictive value. In addition to this study using 4-Cyanopyridine, there are many other studies that have used 4-Cyanopyridine(cas: 100-48-1Application In Synthesis of 4-Cyanopyridine) was used in this study.

4-Cyanopyridine(cas: 100-48-1) belongs to pyridine. Pyridine and pyridine-derived structures are privileged pharmacophores in medicinal chemistry and an essential functionality for organic chemists. As the prototypical π-deficient heterocycle, pyridine illustrates distinctive chemistry as both substrate and reagent. Application In Synthesis of 4-Cyanopyridine

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Computed Properties of C7H7NOIn 2021 ,《Formate-driven catalysis and mechanism of an iridium-copper complex for selective aerobic oxidation of aromatic olefins in water》 was published in Chemical Science. The article was written by Shimoyama, Yoshihiro; Kitagawa, Yasutaka; Ohgomori, Yuji; Kon, Yoshihiro; Hong, Dachao. The article contains the following contents:

A hetero-dinuclear IrIII-CuII complex with two adjacent sites was employed as a catalyst for the aerobic oxidation of aromatic olefins driven by formate in water. An IrIII-H intermediate, generated through formate dehydrogenation, was revealed to activate terminal aromatic olefins to afford an Ir-alkyl species, and the process was promoted by a hydrophobic [IrIII-H]-[substrate aromatic ring] interaction in water. The Ir-alkyl species subsequently reacted with dioxygen to yield corresponding Me ketones and was promoted by the presence of the CuII moiety under acidic conditions. The IrIII-CuII complex exhibited cooperative catalysis in the selective aerobic oxidation of olefins to corresponding Me ketones, as evidenced by no reactivities observed from the corresponding mononuclear IrIII and CuII complexes, as the individual components of the IrIII-CuII complex. The reaction mechanism afforded by the IrIII-CuII complex in the aerobic oxidation was disclosed by a combination of spectroscopic detection of reaction intermediates, kinetic anal., and theor. calculations After reading the article, we found that the author used 4-Acetylpyridine(cas: 1122-54-9Computed Properties of C7H7NO)

4-Acetylpyridine(cas: 1122-54-9) belongs to pyridine. Pyridines, quinolines, and isoquinolines have found a function in almost all aspects of organic chemistry. Pyridine has found use as a solvent, base, ligand, functional group, and molecular scaffold. As structural elements, these moieties are potent electron-deficient groups, metal-directing functionalities, fluorophores, and medicinally important pharmacophores. Computed Properties of C7H7NO

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem