Month: October 2022

In 2016,Jordan, John B.; Whittington, Douglas A.; Bartberger, Michael D.; Sickmier, E. Allen; Chen, Kui; Cheng, Yuan; Judd, Ted published 《Fragment-Linking Approach Using 19F NMR Spectroscopy To Obtain Highly Potent and Selective Inhibitors of β-Secretase》.Journal of Medicinal Chemistry published the findings.Application In Synthesis of 6-Bromopyridin-3-amine The information in the text is summarized as follows:

Fragment-based drug discovery (FBDD) has become a widely used tool in small-mol. drug discovery efforts. One of the most commonly used biophys. methods in detecting weak binding of fragments is NMR (NMR) spectroscopy. In particular, FBDD performed with 19F NMR-based methods has been shown to provide several advantages over 1H NMR using traditional magnetization-transfer and/or two-dimensional methods. Here, we demonstrate the utility and power of 19F-based fragment screening by detailing the identification of a second-site fragment through 19F NMR screening that binds to a specific pocket of the aspartic acid protease, β-secretase (BACE-1). The identification of this second-site fragment allowed the undertaking of a fragment-linking approach, which ultimately yielded a mol. exhibiting a more than 360-fold increase in potency while maintaining reasonable ligand efficiency and gaining much improved selectivity over cathepsin-D (CatD). X-ray crystallog. studies of the mols. demonstrated that the linked fragments exhibited binding modes consistent with those predicted from the targeted screening approach, through-space NMR data, and mol. modeling.6-Bromopyridin-3-amine(cas: 13534-97-9Application In Synthesis of 6-Bromopyridin-3-amine) was used in this study.

6-Bromopyridin-3-amine(cas: 13534-97-9) belongs to anime. The methylamines occur in small amounts in some plants. Many polyfunctional amines (i.e., those having other functional groups in the molecule) occur as alkaloids in plants—for example, mescaline, 2-(3,4,5-trimethoxyphenyl)ethylamine; the cyclic amines nicotine, atropine, morphine, and cocaine; and the quaternary salt choline, N-(2-hydroxyethyl)trimethylammonium chloride, which is present in nerve synapses and in plant and animal cells.Application In Synthesis of 6-Bromopyridin-3-amine

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

In 2016,Igawa, Hideyuki; Takahashi, Masashi; Kakegawa, Keiko; Kina, Asato; Ikoma, Minoru; Aida, Jumpei; Yasuma, Tsuneo; Kawata, Yayoi; Ashina, Shuntaro; Yamamoto, Syunsuke; Kundu, Mrinalkanti; Khamrai, Uttam; Hirabayashi, Hideki; Nakayama, Masaharu; Nagisa, Yasutaka; Kasai, Shizuo; Maekawa, Tsuyoshi published 《Correction to Melanin-Concentrating Hormone Receptor 1 Antagonists Lacking an Aliphatic Amine: Synthesis and Structure-Activity Relationships of Novel 1-(Imidazo[1,2-a]pyridin-6-yl)pyridin-2(1H)-one Derivatives [Erratum to document cited in CA164:213881]》.Journal of Medicinal Chemistry published the findings.SDS of cas: 31106-82-8 The information in the text is summarized as follows:

In the body of Table 1, chem. structures for the R group are missing; the structures are provided here. In addition to this study using 2-(Bromomethyl)pyridine hydrobromide, there are many other studies that have used 2-(Bromomethyl)pyridine hydrobromide(cas: 31106-82-8SDS of cas: 31106-82-8) was used in this study.

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. SDS of cas: 31106-82-8

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

In 2017,Faggyas, Reka J.; Calder, Ewen D. D.; Wilson, Claire; Sutherland, Andrew published 《One-Pot Asymmetric Synthesis of Alkylidene 1-Alkylindan-1-ols Using Bronsted Acid and Palladium Catalysis》.Journal of Organic Chemistry published the findings.Electric Literature of C6H4BrNO The information in the text is summarized as follows:

A one-pot catalytic enantioselective allylboration/Mizoroki-Heck reaction of 2-bromoaryl ketones has been developed for the asym. synthesis of 3-methyleneindanes bearing a tertiary alc. center. Bronsted acid-catalyzed allylboration with a chiral BINOL derivative was followed by a palladium-catalyzed Mizoroki-Heck cyclization, resulting in selective formation of the exo-alkene. This novel protocol provides a concise and scalable approach to 1-alkyl-3-methyleneindan-1-ols in high enantiomeric ratios (up to 96:4 er). The potential of these compounds as chiral building blocks was demonstrated with efficient transformation to optically active diol and amino alc. scaffolds. In the experimental materials used by the author, we found 2-Bromonicotinaldehyde(cas: 128071-75-0Electric Literature of C6H4BrNO)

2-Bromonicotinaldehyde(cas: 128071-75-0) 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.Electric Literature of C6H4BrNO

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

In 2018,Yan, Xiao-Wei; Xie, Yong-Rong; Jin, Zhi-Min; Hu, Mao-Lin; Zhou, Liang-Pu published 《Three Arene-Ru(II) compounds of 2-halogen-5-aminopyridine: Synthesis, characterization, and cytotoxicity》.Applied Organometallic Chemistry published the findings.Category: pyridine-derivatives The information in the text is summarized as follows:

Three novel compounds, (η6-p-cymene)RuCl2(2-fluoro-5-aminopyridine) (compound 1), (η6-p-cymene)RuCl2(5-amino-2-chloropyridine) (compound 2) and (η6-p-cymene)RuCl2(2-bromo- 5-aminopyridine) (compound 3), were synthesized and characterized. The structures of compound 1 and 3 were determined by x-ray diffraction, showing a distorted piano-stool type of geometry with similar bond lengths and angles around the Ru. Compound 2 exhibited moderate in vitro activity against A549 and MCF-7 human cancer cells, the other two lower activities. The UV-visible and fluorescent absorption titrations showed that the three compounds bonded with CT-DNA in a minor groove. The intrinsic binding constants (Kb) were calculated to be 2.13(±0.03) × 105 M-1, 2.89(±0.03) × 105 M-1 and 2.45(±0.03) × 105 M-1 for compound 1, 2 and 3, resp., by using UV-visible absorption titrations data. Among the three compound, the highest value of intrinsic binding constant of compound 2 was consistent with its high cytotoxicity against A549 and MCF-7 human cancer cells in vitro. The results came from multiple reactions, including the reaction of 6-Bromopyridin-3-amine(cas: 13534-97-9Category: pyridine-derivatives)

6-Bromopyridin-3-amine(cas: 13534-97-9) belongs to anime. Many important products require amines as part of their syntheses. Methylamine is utilized in the production of the analgesic meperidine (trade name Demerol) and the photographic developer Metol (trademark), and dimethylamine is used in the synthesis of the antihistamine diphenhydramine (trade name Benadryl), the solvent dimethylformamide (DMF), and the rocket propellant 1,1-dimethylhydrazine. The synthesis of the insect repellent N,N-diethyl-m-toluamide (DEET) incorporates diethylamine while that of the synthetic fibre Kevlar requires aromatic amines.Category: pyridine-derivatives

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

In 2018,Chemistry – A European Journal included an article by Park, Hyunchang; Ahn, Hye Mi; Jeong, Ha Young; Kim, Cheal; Lee, Dongwhan. Recommanded Product: 2-(Bromomethyl)pyridine hydrobromide. The article was titled 《Non-Heme Iron Catalysts for Olefin Epoxidation: Conformationally Rigid Aryl-Aryl Junction To Support Amine/Imine Multidentate Ligands》. The information in the text is summarized as follows:

Atom-transfer chem. represented an important class of reactions catalyzed by metalloenzymes. As a functional mimic of non-heme iron enzymes that deliver oxygen atoms to olefins, the monoiron complexes supported by new N-donor chelates were designed. These ligands took advantage of heme-like conformational rigidity of the π-conjugated mol. backbone and synthetic flexibility of tethering non-heme donor groups for addnl. steric and electronic control. Iron complexes generated in-situ were used to carry out catalytic epoxidation of a wide range of olefin substrates by using mCPBA as a terminal oxidant. The fate of initial iron-peracid adduct and the involvement of iron-oxo species in this process were investigated further by mechanistic probes and isotope exchange studies. Thet anilidopyridyl-derived [N,N]-bidentate motif served as a versatile structural platform to build non-heme ligands for catalytic oxidation chem. The results came from multiple reactions, including the reaction of 2-(Bromomethyl)pyridine hydrobromide(cas: 31106-82-8Recommanded Product: 2-(Bromomethyl)pyridine hydrobromide)

2-(Bromomethyl)pyridine hydrobromide(cas: 31106-82-8) belongs to pyridine. Pyridine is a relatively complex molecule and exhibits a number of different bands in IR spectra. Among others, the bands characterizing the ν8a and ν19b modes have been found to be sensitive to the coordination or protonation of the molecule. Note that the band that is diagnostic for the PyH+ ion at about 1545 cm− 1 (ν19b mode) does not overlap with any of the other bands.Recommanded Product: 2-(Bromomethyl)pyridine hydrobromide

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

In 2019,Journal of Chemical Physics included an article by Sanderson, Stephen; Philippa, Bronson; Vamvounis, George; Burn, Paul L.; White, Ronald D.. Application In Synthesis of fac-Tris(2-phenylpyridine)iridium. The article was titled 《Understanding charge transport in Ir(ppy)3:CBP OLED films》. The information in the text is summarized as follows:

Ir(ppy)3:CBP blends have been widely studied as the emissive layer in organic light emitting diodes (OLEDs), yet crucial questions about charge transport within the layer remain unaddressed. Recent mol. dynamics simulations show that the Ir(ppy)3 mols. are not isolated from each other, but at concentrations of as low as 5 weight % can be part of connected pathways. Such connectivity raises the question of how the iridium(III) complexes contribute to long-range charge transport in the blend. We implement a kinetic Monte Carlo transport model to probe the guest concentration dependence of charge mobility and show that distinct min. appear at approx. 10 weight % Ir(ppy)3 due to an increased number of trap states that can include interconnected complexes within the blend film. The depth of the min. is shown to be dependent on the elec. field and to vary between electrons and holes due to their different trapping depths arising from the different ionization potentials and electron affinities of the guest and host mols. Typical guest-host OLEDs use a guest concentration below 10 weight % to avoid triplet-triplet annihilation, so these results suggest that optimal device performance is achieved when there is significant charge trapping on the iridium(III) complex guest mols. and min. interactions of the emissive chromophores that can lead to triplet-triplet annihilation. (c) 2019 American Institute of Physics. In addition to this study using fac-Tris(2-phenylpyridine)iridium, there are many other studies that have used fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6Application In Synthesis of fac-Tris(2-phenylpyridine)iridium) was used in this study.

fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6) belongs to pyridine. Pyridines are often used as catalysts or reagents; particular notice has been paid recently to how pyridine coordinates to metal centers enabling a wide range of valuable reactions. Application In Synthesis of fac-Tris(2-phenylpyridine)iridium

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

In 2019,Monatshefte fuer Chemie included an article by de Aguiar, Sara R. M. M.; Schroeder-Holzhacker, Christian; Pecak, Jan; Stoeger, Berthold; Kirchner, Karl. Safety of 2,6-Diaminopyridine. The article was titled 《Synthesis and characterization of TADDOL-based chiral group six PNP pincer tricarbonyl complexes》. The information in the text is summarized as follows:

The new chiral PNP pincer ligand N2,N6-bis((3aR, 8aR)-2,2-dimethyl-4,4,8,8-tetraphenyltetrahydro[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)pyridine-2,6-diamine (PNP-TADDOL) was synthesized in 80% isolated yield. [M(PNP-TADDOL)(CO)3] (M = Cr, Mo, and W) were prepared via a solvothermal approach. This methodol. constitutes a fast, simple, and practical synthetic method to obtain complexes of that type in high isolated yields. The x-ray structure of the Mo complex is presented. In the experimental materials used by the author, we found 2,6-Diaminopyridine(cas: 141-86-6Safety of 2,6-Diaminopyridine)

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.Safety of 2,6-Diaminopyridine

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

In 2019,Chemical & Pharmaceutical Bulletin included an article by Togo, Takaya; Sohma, Youhei; Kuninobu, Yoichiro; Kanai, Motomu. COA of Formula: C6H6BrN. The article was titled 《Palladium-catalyzed C-H heteroarylation of 2,5-disubstituted imidazoles》. The information in the text is summarized as follows:

A palladium-catalyzed C-H N-heteroarylation of N-protected-2,5-disubstituted imidazoles at the C4-position using N-heteroaryl halides as a coupling partner was developed. Intensive reaction condition screening led to identify fluorinated bathophenanthroline as the optimum ligand for the palladium catalyst. This reaction enhanced optimization of drug candidates by facilitating the synthesis of heterobiaryl compounds containing an imidazole ring. In the experimental materials used by the author, we found 2-Bromo-5-methylpyridine(cas: 3510-66-5COA of Formula: C6H6BrN)

2-Bromo-5-methylpyridine(cas: 3510-66-5) 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. COA of Formula: C6H6BrN

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

The author of 《Switching between Copper-Catalysis and Photocatalysis for Tunable Halofluoroalkylation and Hydrofluoroalkylation of 1,6-Enynes toward 1-Indenones》 were Shen, Zheng-Jia; Wang, Shi-Chao; Hao, Wen-Juan; Yang, Shi-Zhao; Tu, Shu-Jiang; Jiang, Bo. And the article was published in Advanced Synthesis & Catalysis in 2019. Safety of fac-Tris(2-phenylpyridine)iridium The author mentioned the following in the article:

Radical cyclization/fluoroalkylation of enyne I with BrCF2CO2Et in presence of K2CO3 in MeCN at 120° under air using CuI and Me4Phen as catalyst afforded (E)-indenone II (68%) whereas the same substrates under visible light photocatalytic conditions with fac-Ir(ppy)3 in presence of Et3N in THF under N2 at room temperature afforded (Z)-III (59%). In the part of experimental materials, we found many familiar compounds, such as fac-Tris(2-phenylpyridine)iridium(cas: 94928-86-6Safety of fac-Tris(2-phenylpyridine)iridium)

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. Safety of fac-Tris(2-phenylpyridine)iridium

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

The author of 《Exfoliating a CdII-Purine Framework: Conversion of Nanosheets-to-Nanofibers and Studies of Elastic and Capacitive Properties》 were Avasthi, Ilesha; Kulkarni, Manish M.; Verma, Sandeep. And the article was published in Chemistry – A European Journal in 2019. Name: 2-(Bromomethyl)pyridine hydrobromide The author mentioned the following in the article:

Layered bulk crystals are amenable to exfoliation to yield 2D nanosheets through isolation and intercalation processes, which could be further converted to 1D nanoscale structures. The latter inherit gross morphol. and phys. properties associated with the precursor structures. Herein, we report three purine-based crystal structures 1, 2, and 3, where 3 is obtained by a single-crystal-to-single-crystal transformation from 2 and is a conformational polymorph of 1. Next, we describe the sonication-assisted liquid exfoliation of 1, a CdII-purine coordination framework, into nanosheets and nanofibers in a solvent-dependent process. The exfoliation was carefully studied at low temperatures to ascertain this unique conversion. This work also features the determination of the Young’s modulus and surface potential of the bioinspired CdII-based nanostructures by using amplitude modulation-frequency modulation at. force microscopy and Kelvin probe force microscopy, resp., revealing their interesting elastic and capacitive properties for their possible use in electronics and energy devices. Electron impedance spectroscopy measurements further established a higher value of capacitance for the exfoliated CdII framework as compared to the ligand alone. In the part of experimental materials, we found many familiar compounds, such as 2-(Bromomethyl)pyridine hydrobromide(cas: 31106-82-8Name: 2-(Bromomethyl)pyridine hydrobromide)

2-(Bromomethyl)pyridine hydrobromide(cas: 31106-82-8) 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. Name: 2-(Bromomethyl)pyridine hydrobromide

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem