Month: November 2022

On September 1, 2009, Yang, Limin; Zhao, Guozhong; Li, Weihong; Liu, Yufeng; Shi, Xiaoxi; Jia, Xinfeng; Zhao, Kui; Lu, Xiangyang; Xu, Yizhuang; Xie, Datao; Wu, Jinguang; Chen, Jia’er published an article.Safety of Pyridine-3-sulfonic acid The title of the article was Low-frequency vibrational modes of DL-homocysteic acid and related compounds. And the article contained the following:

Several polycrystalline mols. with sulfonate groups and some of their metal complexes, including DL-homocysteic acid (DLH) and its Sr- and Cu-complexes, pyridine-3-sulfonic acid and its Co- and Ni-complexes, sulfanilic acid and -cysteic acid were studied using THz time-domain methods at room temperature The results of THz absorption spectra show that the mols. have characteristic bands at 0.2-2.7 THz (6-90 cm-1). THz technique can be used to distinguish different mols. with sulfonate groups and to determine the bonding of metal ions and the changes of H bond networks. In the THz region DLH has three bands: 1.61, 1.93 and 2.02 THz; and 0.85, 1.23 and 1.73 THz for Sr-DLH complex, 1.94 THz for Cu-DLH complex, resp. The absorption bands of pyridine-3-sulfonic acid are located at 0.81, 1.66 and 2.34 THz; the bands at 0.96, 1.70 and 2.38 THz for its Co-complex, 0.76, 1.26 and 1.87 THz for its Ni-complex. Sulfanilic acid has three bands: 0.97, 1.46 and 2.05 THz; and the absorption bands of -cysteic acid are at 0.82, 1.62, 1.87 and 2.07 THz, resp. The THz absorption spectra after complexation are different from the ligands, which indicate the bonding of metal ions and the changes of H bond networks. M-O and other vibrations appear in the FIR region for those metal-ligand complexes. The bands in the THz region were assigned to the rocking, torsion, rotation, wagging and other modes of different groups in the mols. Preliminary assignments of the bands were carried out using Gaussian program calculation The experimental process involved the reaction of Pyridine-3-sulfonic acid(cas: 636-73-7).Safety of Pyridine-3-sulfonic acid

The Article related to frequency vibrational mode homocysteic compound, Optical, Electron, and Mass Spectroscopy and Other Related Properties: Vibrational and Rotational Spectroscopy and other aspects.Safety of Pyridine-3-sulfonic acid

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

On July 15, 2004, Boys, Mark L.; Schretzman, Lori A.; Tollefson, Michael B.; Chandrakumar, Nizal S.; Khanna, Ish K.; Nguyen, Maria; Downs, Victoria; Mohler, Scott B.; Gesicki, Glen J.; Penning, Thomas D.; Chen, Barbara B.; Wang, Yaping; Khilevich, Albert; Desai, Bipinchandra N.; Yu, Yi; Wendt, John A.; Stenmark, Heather; Wu, Lisa; Huff, Renee M.; Nagarajan, Srinivasan R.; Devadas, Balekudru; Lu, Hwang-fun; Russell, Mark; Spangler, Dale P.; Parikh, Mihir D.; Clare, Michael published a patent.COA of Formula: C8H9BrN2O2 The title of the patent was Heteroarylalkanoic acids as integrin receptor antagonists. And the patent contained the following:

The present invention relates to pharmaceutical compositions comprising compounds I [A = (un)saturated and/or (un)substituted 4-8 membered monocyclic or 7-12 membered bicyclic ring, containing 1 to 5 heteroatoms selected from the group consisting of O, N or S; ring A may further contain a carboxamide, sulfone, sulfonamide, or an acyl group; A1 = (un)saturated and/or (un)substituted 5-9 membered monocyclic or 8-14 membered polycyclic heterocycle containing at least one N; or A1 = substituted urea, iminourea or thiourea alicyclic or cyclic analog; Z1 = CH2, CH2O, O, NH, CO, S, SO, CHOH, SO2; Z2 = (un)substituted 1-5 carbon linker optionally containing one or more heteroatoms; alternatively Z1-Z2 may contain a carboxamide, sulfone, sulfonamide, alkenyl, acyl group, or aryl or heteroaryl ring; X = CO, SO2, S, O, substituted amine, substituted CH; Y = CO, SO2, substituted amine, etc.; Y5 = C or N; Y3 and Y4 independently = H, halo, (un)substituted-alkyl, -aryl, -alkene, etc.; or Y3 and Y4 together form a (un)saturated and/or (un)substituted 3-8 membered monocyclic or a 7-11 membered bicyclic ring optionally containing heteroatoms; or X and Y3 form a 3-7 membered monocyclic ring optionally containing heteroatoms; Rb = OH, alkoxy, arylamine, etc.], or a pharmaceutically acceptable salt thereof, methods of selectively inhibiting or antagonizing the ανβ3 and/or the ανβ5 integrin without significantly inhibiting the ανβ6 integrin, and methods to prepare I. Thus, e.g., II was prepared in four steps with oxadiazole ring forming via cyclization reaction of amide oxime III with cyclic anhydride IV (preparation given). I antagonize αvβ3 integrin with an IC50 values ranging from 0.1 nM to 100 μM in the 293-cell assay. Similarly, I also antagonized αvβ5 integrin with an IC50 values of < 50 μM in the cell adhesion assay. The experimental process involved the reaction of 3-((6-Bromopyridin-2-yl)amino)propanoic acid(cas: 68638-67-5).COA of Formula: C8H9BrN2O2

The Article related to butanoic acid heteroaryl derivative preparation integrin receptor antagonist, alkanoic acid heteroaryl derivative preparation integrin receptor antagonist, Aliphatic Compounds: Carboxylic Acids and Peroxycarboxylic Acids and Their Sulfur-Containing Analogs and Salts and other aspects.COA of Formula: C8H9BrN2O2

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Li, Wen; Xiaoming, Long; Li, Manfu published an article in 1985, the title of the article was Synthesis of viologen compounds.Computed Properties of 52243-87-5 And the article contains the following content:

A series of viologen and polyviologen compounds were prepared by Menshutkin reaction of 4,4′-bipyridine with related alkyl halide. The kinetics of synthesis of polyviologens was studied. The polymerization behaved as step polymerization and proceeded via a second-order reaction in the early period. Both conversion and intrinsic viscosity increased with temperature The polarity of solvent had remarkable influence on the mol. weight of polymer in the precipitation polymerization The experimental process involved the reaction of 1,1′-Dipropyl-[4,4′-bipyridine]-1,1′-diium bromide(cas: 52243-87-5).Computed Properties of 52243-87-5

The Article related to menshutkin reaction bipyridine alkyl halide, kinetics polymerization viologen, solvent effect polyviologen preparation, temperature effect polyviologen preparation, Chemistry of Synthetic High Polymers: Polymerization Kinetics, Mechanisms, Thermodynamics, Catalysis, Catalysts and other aspects.Computed Properties of 52243-87-5

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

On February 2, 2012, Austin, Joel Francis; Sharma, Lisa S.; Balog, James Aaron; Huang, Audris; Velaparthi, Upender; Darne, Chetan Padmakar; Saulnier, Mark George published a patent.Category: pyridine-derivatives The title of the patent was Preparation of sulfonamide compounds useful as CYP17 inhibitors. And the patent contained the following:

The title compounds I [ring A = II-IV (wherein X, Y and Q = N and/or CR6; U = N, NR8, and/or CH; W and Z = N and/or C; with the provisos); R1 = H, halo, OH, etc.; R2 = H, halo, alkyl; R3 = H, halo, alkyl, alkoxy; R4 = H, halo, alkyl, alkoxy, haloalkoxy; R5 = (un)substituted alkyl, alkenyl, cycloalkyl, etc.; R6 = H, halo, CN, etc.; R7 = halo, CN, haloalkyl, etc.; R8 = H, alkyl, SO2Ph], useful in the treatment of conditions related to CYP17 enzyme, such as cancer, were prepared E.g., a multi-step synthesis of V, starting from 3-bromo-4-methylpyridine, was described. Exemplified compounds I showed human CYP17 SPA IC50 values of less than 1 μM (specific data given for representative compounds I). Pharmaceutical compositions comprising compound I were disclosed. The experimental process involved the reaction of 3,5-Dibromo-4-methoxypyridine(cas: 25813-24-5).Category: pyridine-derivatives

The Article related to sulfonamide preparation cytochrome p450 monooxygenase cyp17 inhibitor antitumor, Benzene, Its Derivatives, and Condensed Benzenoid Compounds: Sulfenic, Sulfinic, and Sulfonic Acids and Derivatives and other aspects.Category: pyridine-derivatives

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

On August 7, 2014, Cammarano, Carolyn Michele; Christopher, Matthew P.; Dinsmore, Christopher; Doll, Ronald J.; Fradera Llinas, Francesc Xavier; Li, Chaomin; Machacek, Michelle; Martinez, Michelle; Nair, Latha G.; Pan, Weidong; Reutershan, Michael Hale; Shizuka, Manami; Steinhuebel, Dietrich P.; Sun, Binyuan; Thompson, Christopher Francis; Trotter, B. Wesley; Voss, Matthew Ernst; Wang, Yaolin; Yang, Liping; Panda, Jagannath; Kurissery, Anthappan Tony; Bogen, Stephane L. published a patent.COA of Formula: C8H10BrN The title of the patent was 2,6,7,8-Substituted purines as HDM2 inhibitors and their preparation and use in the treatment of cancer. And the patent contained the following:

The invention provides 2,6,7,8-substituted purines of formula I or a pharmaceutically acceptable salt thereof. The representative compounds are useful as inhibitors of the HDM2 protein. Also disclosed are pharmaceutical compositions comprising the above compounds and potential methods of treating cancer using the same. Compounds of formula I wherein R1 is (un)substituted C1-6 alkyl, 5- to 6-membered nitrogen containing heteroaryl, heterocyclic ring, heterocyclenyl, etc.; R2 is (un)substituted aryl, heteroaryl, C3-8 cycloalkyl, etc.; R3 is C2-6 alkenyl, T-aryl, T-heteroaryl, etc.; R4 is C1-6 alkyl, (CRa2)0-2aryl, (CRa2)0-2heteoaryl, etc.; Ra is H, NH2, halo, etc.; T is C2-4 alkenyl, C=CH2, C=NH, etc.; and pharmaceutically acceptable salts thereof, are claimed. Example compound II was prepared by a multistep procedure (procedure given). The invention compounds were evaluated for their HDM2 inhibitory activity. From the assay, it was determined that compound II exhibited IC50 value of 11.44 nM. The experimental process involved the reaction of 4-Bromo-2-isopropylpyridine(cas: 908267-63-0).COA of Formula: C8H10BrN

The Article related to purine preparation hdm2 inhibitor, Biomolecules and Their Synthetic Analogs: Others, Including Purines, Pyrimidine Nucleic Acid Bases, Flavins, Lignans and other aspects.COA of Formula: C8H10BrN

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

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

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

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