Tag: 100-200

On May 22, 2014, Chatterjee, Arnab Kumar; Nagle, Advait Suresh; Paraselli, Prasuna; Leong, Seh Yong; Roland, Jason Thomas; Mishra, Pranab Kumar; Yeung, Bryan K. S.; Zou, Bin published a patent.Formula: C7H10N2 The title of the patent was Preparation of imidazopyrazines for treating parasitic diseases. And the patent contained the following:

The invention is related to the preparation of title compounds I [n = 0-2; p = 0-3; A = aryl, heteroaryl, and fused bycyclyl comprising a heterocycloalkyl fused to a phenyl; B = the imidazo[1,2-a]pyrazine fused ring depicted in I; D = Ph, heteroaryl, cycloalkyl, heterocycloalkyl, fused bicyclyl comprising a heterocycloalkyl fused to a phenyl; L = *CO, alkylene, *NR2CO, *CH2NR2, etc.; * represents the point of attachment of L to ring B; R2 = H, alkyl, R0-alkylene ; R0 = alkoxyamino, heteroaryl, alkylamino, etc.; R1 = independently at each occurrence halo, CN, NH2 and derivatives; R15, R16 = independently H, alkyl, haloalkyl; R17 = independently at each occurrence halo, OH and derivatives, SO2NH2 and derivatives, etc.], or a pharmaceutical acceptable salt, tautomer or stereoisomer, useful for treating, preventing, inhibiting, ameliorating, or eradicating the pathol. and/or symptomol. of a disease, such as malaria, caused by a Plasmodium parasite. Thus, a multi-step synthesis starting from chloroacetaldehyde and 5-amino-2-pyrazinecarboxylic acid Et ester was given for II. I were tested for their capacity to inhibit proliferation of parasitemia in 3D7 Plasmodium falciparum infected red blood cells and had EC50 of 10 μM or less. I showed delay of the proliferation of P. yoelii in liver cells in a P. yoelii sporozoite invasion assay (EC50 for II = 14 nM). The experimental process involved the reaction of N,3-Dimethylpyridin-2-amine(cas: 156267-13-9).Formula: C7H10N2

The Article related to imidazopyrazine preparation antimalarial plasmodium falciparum, Heterocyclic Compounds (More Than One Hetero Atom): Pyrazines and Quinoxalines (Including Piperazines) and other aspects.Formula: C7H10N2

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

On June 24, 1994, Rewcastle, Gordon W.; Palmer, Brian D.; Dobrusin, Ellen M.; Fry, David W.; Kraker, Alan J.; Denny, William A. published an article.COA of Formula: C7H10N2 The title of the article was Tyrosine Kinase Inhibitors. 3. Structure-Activity Relationships for Inhibition of Protein Tyrosine Kinases by Nuclear-Substituted Derivatives of 2,2′-Dithiobis(1-methyl-N-phenyl-1H-indole-3-carboxamide). And the article contained the following:

A series of indole-substituted 2,2′-dithiobis(1-methyl-N-phenyl-1H-indole-3-carboxamides) I (R = H, 5-Cl, 6-Me, 7-OH, 5-MeO, etc.) were prepared and evaluated for their ability to inhibit the tyrosine kinase activity of both the epidermal growth factor receptor (EGFR) and the nonreceptor pp60v-src tyrosine kinase. The compounds were synthesized by conversion of appropriate 1-methyloxindoles to 1-methyl-2-indolinethiones with P2S5 followed by subsequent reaction with NaH and Ph isocyanate and oxidative dimerization of the resulting 2,3-dihydro-N-phenyl-2-thioxo-1H-indole-3-carboxamides. The parent compound and many of the substituted analogs were moderately potent inhibitors of both kinase enzymes, but no clear relationships were seen between substitution on the indole ring and inhibitory activity. While 4-substituted compounds were generally inactive, 5-substituted derivatives with electron-withdrawing groups showed inhibitory activity. However, none of the substituted compounds showed significantly better activity than the unsubstituted parent compound There was generally a good correlation between activity against the EGFR and pp60v-src kinases, but several compounds did show some specificity (>20-fold) of inhibition; 5-Cl and 5-Br derivatives preferentially inhibited pp60v-src, while the 5-CF3 compound preferentially inhibited EGFR. Selected compounds from the series were found to inhibit the growth of Swiss 3T3 fibroblasts with IC50s in the range 2-25 μM, the most active being 4-substituted derivatives The compounds inhibited bFGF-mediated protein tyrosine phosphorylation in intact cells more effectively than EGFR- or PDGF-mediated phosphorylation. The experimental process involved the reaction of N,3-Dimethylpyridin-2-amine(cas: 156267-13-9).COA of Formula: C7H10N2

The Article related to dithiobismethylphenylindolecarboxamide protein tyrosine kinases inhibitor, indolecarboxamide dithiobismethylphenyl protein tyrosine kinases inhibitor, Heterocyclic Compounds (One Hetero Atom): Indoles, Indolizines, Carbazoles, and Other Arenopyrroles and other aspects.COA of Formula: C7H10N2

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

On May 31, 2014, Zhao, Hongwu; Meng, Wei; Yang, Zhao; Tian, Ting; Sheng, Zhihui; Li, Hailong; Song, Xiuqing; Zhang, Yutong; Yang, Sen; Li, Bo published an article.SDS of cas: 75449-26-2 The title of the article was Organocatalytic Stereoselective Synthesis of 3-Alkyl-3-hydroxy-2-oxindoles Catalyzed by Novel Water-compatible Axially Unfixed Biaryl-based Bifunctional Organocatalysts. And the article contained the following:

In this work, six novel axially unfixed biaryl-based water-compatible bifunctional organocatalysts were designed and synthesized for the organocatalytic access to a variety of 3-alkyl-3-hydroxy-2-oxindole derivatives I (R1 = H, 5-O2N, 5-Br; R2 = H, Bn; R3, R4 = -(CH2)2-, -CH2OCH2-, -CH2SCH2-, etc.) via aldol reactions in water. Organocatalyzed by II, the direct aldol reactions of isatins with enolisable ketones underwent readily in water, furnishing the structurally diverse I in various stereoselectivities (up to>99% dr and >99% ee). Moreover, a plausible transition state of the conducted aldol reactions was hypothesized to shed light on the observed stereoselectivities of the obtained I. The experimental process involved the reaction of [2,2′-Bipyridine]-3,3′-diamine(cas: 75449-26-2).SDS of cas: 75449-26-2

The Article related to alkyl hydroxy oxindole enantioselective preparation, isatin ketone aldol biaryl organocatalyst water compatible, Heterocyclic Compounds (One Hetero Atom): Indoles, Indolizines, Carbazoles, and Other Arenopyrroles and other aspects.SDS of cas: 75449-26-2

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

On December 3, 2010, Ortiz-Sanchez, Juan M.; Gelabert, Ricard; Moreno, Miquel; Lluch, Jose M. published an article.Quality Control of [2,2′-Bipyridine]-3,3′-diamine The title of the article was Modulating the Photochemistry of Bipyridylic Compounds by Symmetric Substitutions. And the article contained the following:

A quantum electronic study of the effect of substituents on (2,2′-bipyridyl)-3,3′-diol and (2,2′-bipyridyl)-3,3′-diamine is presented. A large difference in the photochem. behavior between the original and the substituted selected systems is expected. For the sake of simplicity, the study is restricted to the sym. bi-substituted compounds: fluorine, the more electroneg. atom and thus a strong σ-acceptor but also a weak π-donor group, and NO2, a strong π-acceptor substituent. Among the large set of compounds studied, two receive special attention: 5,5′-dinitro-(2,2′-bipyridyl)-3,3′-diamine and 6,6′-difluoro-(2,2′-bipyridyl)-3,3′-diol. While in the former case the nitro substitution transforms (2,2′-bipyridyl)-3,3′-diamine, previously suggested to behave as a photomemory material, into a simple fluorescent species, the latter substitution turns (2,2′-bipyridyl)-3,3′-diol into a fresh new candidate for a photomemory device. The experimental process involved the reaction of [2,2′-Bipyridine]-3,3′-diamine(cas: 75449-26-2).Quality Control of [2,2′-Bipyridine]-3,3′-diamine

The Article related to quantum electronic study substituent effect photochem bipyridyldiol bipyridyldiamine, Radiation Chemistry, Photochemistry, and Photographic and Other Reprographic Processes: Radiation Chemistry and Photochemistry and other aspects.Quality Control of [2,2′-Bipyridine]-3,3′-diamine

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Ortiz-Sanchez, Juan Manuel; Gelabert, Ricard; Moreno, Miquel; Lluch, Jose M.; Anglada, Josep M.; Bofill, Josep M. published an article in 2010, the title of the article was Bipyridyl derivatives as photomemory devices: A comparative electronic-structure study.Related Products of 75449-26-2 And the article contains the following content:

The two isoelectronic bipyridyl derivatives [2,2′-bipyridyl]-3,3′-diamine (BP(NH2)2) and [2,2′-bipyridyl]-3,3′-diol (BP(OH)2) are exptl. known to undergo very different excited-state double proton transfer processes that result in fluorescence quantum yields that differ by four orders of magnitude. Such differences have been theor. explained in terms of topog. features in the potential energy surface and the likely presence of conical intersections. The hypothetical hybrid compound [2,2′-bipyridyl]-3-amin-3′-ol (BP(OH)(NH2)) presents intermediate photochem. features of its “ancestors”. In this report we analyze the photochem. properties of a whole family of “dark” (not fluorescent) states that can be accessed from each bipyridyl derivative upon irradiation of light of a given wavelength and their potential application as photomemory devices. In the light of our d. functional theory (DFT), time-dependent DFT (TDDFT), and complete active space SCF (CASSCF) calculations, BP(NH2)2 is the more likely candidate to become a photomemory device. The experimental process involved the reaction of [2,2′-Bipyridine]-3,3′-diamine(cas: 75449-26-2).Related Products of 75449-26-2

The Article related to bipyridyl derivative photomemory electronic structure scf calculation dft, Radiation Chemistry, Photochemistry, and Photographic and Other Reprographic Processes: Radiation Chemistry and Photochemistry and other aspects.Related Products of 75449-26-2

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

On August 10, 2020, Li, Hanyuan; Ma, Biao; Liu, Qi-Sheng; Wang, Mei-Ling; Wang, Zhen-Yu; Xu, Hui; Li, Ling-Jun; Wang, Xing; Dai, Hui-Xiong published an article.COA of Formula: C10H12N2O The title of the article was Transformations of Aryl Ketones via Ligand-Promoted C-C Bond Activation. And the article contained the following:

The coupling of aromatic electrophiles (aryl halides, aryl ethers, aryl acids, aryl nitriles etc.) with nucleophiles is a core methodol. for the synthesis of aryl compounds Transformations of aryl ketones in an analogous manner via carbon-carbon bond activation could greatly expand the toolbox for the synthesis of aryl compounds due to the abundance of aryl ketones. An exploratory study of this approach is typically based on carbon-carbon cleavage triggered by ring-strain release and chelation assistance, and the products are also limited to a specific structural motif. Here we report a ligand-promoted β-carbon elimination strategy to activate the carbon-carbon bonds, which results in a range of transformations of aryl ketones, leading to useful aryl borates, and also to biaryls, aryl nitriles, and aryl alkenes. The use of a pyridine-oxazoline ligand is crucial for this catalytic transformation. A gram-scale borylation reaction of an aryl ketone via a simple one-pot operation is reported. The potential utility of this strategy is also demonstrated by the late-stage diversification of drug mols. probenecid, adapalene, and desoxyestrone, the fragrance tonalid as well as the natural product apocynin. The experimental process involved the reaction of 2-(4,5-Dihydro-4,4-dimethyl-2-oxazolyl)pyridine(cas: 109660-12-0).COA of Formula: C10H12N2O

The Article related to aryl borate preparation ketoarene ligand promoted bond activation, c−c bond activation, pd catalysis, aryl ketones, borylation, Benzene, Its Derivatives, and Condensed Benzenoid Compounds: Ketones and Derivatives, Including Quinones and Sulfur Analogs and other aspects.COA of Formula: C10H12N2O

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Kolar, Michal; Hostas, Jiri; Hobza, Pavel published an article in 2015, the title of the article was The strength and directionality of a halogen bond are co-determined by the magnitude and size of the σ-hole [Erratum to document cited in CA160:690906].Name: 4-Chloro-2,6-difluoropyridine And the article contains the following content:

Corrections are provided for the misuse of the term “directionality”; the numerical results are unaffected. The experimental process involved the reaction of 4-Chloro-2,6-difluoropyridine(cas: 34968-33-7).Name: 4-Chloro-2,6-difluoropyridine

The Article related to erratum halogen bond strength directionality, sigma hole magnitude size effect erratum, Physical Organic Chemistry: Theoretical Organic Chemical Concepts, Including Quantum and Molecular Mechanical Studies and other aspects.Name: 4-Chloro-2,6-difluoropyridine

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Kolar, Michal; Hostas, Jiri; Hobza, Pavel published an article in 2014, the title of the article was The strength and directionality of a halogen bond are co-determined by the magnitude and size of the σ-hole.Category: pyridine-derivatives And the article contains the following content:

The σ-holes of halogen atoms on various aromatic scaffolds were described in terms of their size and magnitude. The electrostatic potential maps at the CAM-B3LYP-D3(bj)/def2-QZVP level were calculated and the σ-holes of >100 aromatic analogs were thoroughly analyzed to relate the σ-holes to the binding preferences of the halogenated compounds Both the size and magnitude of the σ-hole increase when passing from chlorinated to iodinated analogs. Also, the σ-hole properties were studied upon chem. substitution of the aromatic ring as well as in the aromatic ring. Further, the angular variations of the interactions were studied on a selected set of halogenbenzene complexes with argon and hydrogen fluoride (HF). To analyze interaction energy components, DFT-SAPT angular scans were performed. The interaction energies of bromobenzene complexes were evaluated at the CCSD(T)/complete basis set level providing the benchmark energetic data. The strength of the halogen bond between halogenbenzenes and Ar atoms and HF mols. increases while its directionality decreases when passing from chlorine to iodine. The decrease of the directionality of the halogen bond is larger for a HF-containing complex and is caused by electrostatic and exchange-repulsion energies. These findings are especially valuable for protein-halogenated ligand-binding studies, applied in the realm of rational drug development and lead optimization. The experimental process involved the reaction of 4-Chloro-2,6-difluoropyridine(cas: 34968-33-7).Category: pyridine-derivatives

The Article related to halogen bond strength directionality sigma hole magnitude size effect, Physical Organic Chemistry: Theoretical Organic Chemical Concepts, Including Quantum and Molecular Mechanical Studies and other aspects.Category: pyridine-derivatives

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

On June 4, 2007, Ortiz-Sanchez, Juan Manuel; Gelabert, Ricard; Moreno, Miquel; Lluch, Jose M. published an article.Product Details of 75449-26-2 The title of the article was A comparative study on the photochemistry of two bipyridyl derivatives: [2,2′-bipyridyl]-3,3′-diamine and [2,2′-bipyridyl]-3,3′-diol. And the article contained the following:

The two isoelectronic bipyridyl derivatives, [2,2′-bipyridyl]-3,3′-diamine and [2,2′-bipyridyl]-3,3′-diol, are exptl. known to undergo very different excited-state double-proton-transfer processes, which result in fluorescence quantum yields that differ by four orders of magnitude. Herein, d. functional theory (DFT), time-dependent DFT (TDDFT), and complete active space SCF (CASSCF) calculations are used to study the double-proton-transfer processes in the ground and first singlet π-π* excited state. The quantum-chem. calculations indicate (1) the existence of only one energy min. in the ground electronic state corresponding to reactants (thus avoiding the possibility of a fast fluorescent relaxation process from the photo-products region), (2) an endoergic process of the complete double proton transfer, and (3) the presence of a conical intersection in the excited intermediate region of [2,2′-bipyridyl]-3,3′-diamine. These facts explain the very low fluorescence quantum yield in [2,2′-bipyridyl]-3,3′-diamine compared to [2,2′-bipyridyl]-3,3′-diol. The experimental process involved the reaction of [2,2′-Bipyridine]-3,3′-diamine(cas: 75449-26-2).Product Details of 75449-26-2

The Article related to excited state double proton transfer bipyridyl derivative ab initio, Physical Organic Chemistry: Theoretical Organic Chemical Concepts, Including Quantum and Molecular Mechanical Studies and other aspects.Product Details of 75449-26-2

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

On June 30, 2006, Panicker, C. Yohannan; Varghese, Hema Tresa; Philip, Daizy; Nogueira, Helena I. S. published an article.Computed Properties of 636-73-7 The title of the article was FT-IR, FT-Raman and SERS spectra of pyridine-3-sulfonic acid. And the article contained the following:

FTIR and FT-Raman spectra of pyridine-3-sulfonic acid are recorded and analyzed. Surface enhanced Raman scattering (SERS) spectrum is recorded in a Ag colloid. The bands due to υCH, υSO are enhanced in the SERS spectrum. A likely perpendicular orientation’ of the mol. on the Ag surface is suggested. The experimental process involved the reaction of Pyridine-3-sulfonic acid(cas: 636-73-7).Computed Properties of 636-73-7

The Article related to ft ir raman sers spectra pyridine sulfonic acid, Optical, Electron, and Mass Spectroscopy and Other Related Properties: Vibrational and Rotational Spectroscopy and other aspects.Computed Properties of 636-73-7

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem