Tag: 200-300

Recommanded Product: 29682-15-3In 2016 ,《Structure-activity relationship study of 4-(thiazol-5-yl)benzoic acid derivatives as potent protein kinase CK2 inhibitors》 was published in Bioorganic & Medicinal Chemistry. The article was written by Ohno, Hiroaki; Minamiguchi, Daiki; Nakamura, Shinya; Shu, Keito; Okazaki, Shiho; Honda, Maho; Misu, Ryosuke; Moriwaki, Hirotomo; Nakanishi, Shinsuke; Oishi, Shinya; Kinoshita, Takayoshi; Nakanishi, Isao; Fujii, Nobutaka. The article contains the following contents:

Two classes of modified analogs of 4-(thiazol-5-yl)benzoic acid-type CK2 inhibitors were designed. The azabenzene analogs, pyridine- and pyridazine-carboxylic acid derivatives, showed potent protein kinase CK2 inhibitory activities [IC50 (CK2α) = 0.014-0.017 μM; IC50 (CK2α’) = 0.0046-0.010 μM]. Introduction of a 2-halo- or 2-methoxy-benzyloxy group at the 3-position of the benzoic acid moiety maintained the potent CK2 inhibitory activities [IC50 (CK2α) = 0.014-0.016 μM; IC50 (CK2α’) = 0.0088-0.014 μM] and led to antiproliferative activities [CC50 (A549) = 1.5-3.3 μM] three to six times higher than those of the parent compound In addition to this study using Methyl 5-bromopicolinate, there are many other studies that have used Methyl 5-bromopicolinate(cas: 29682-15-3Recommanded Product: 29682-15-3) was used in this study.

Methyl 5-bromopicolinate(cas: 29682-15-3) 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. Recommanded Product: 29682-15-3

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

In 2022,Chen, Ruikun; Hu, Pengwei; Xian, Yuxi; Hu, Xianhai; Zhang, Guobing published an article in Macromolecular Rapid Communications. The title of the article was 《Incorporation of Sequence Aza-Substitution and Thiophene Bridge in Linear Conjugated Polymers Toward Highly Efficient Photo-Catalytic Hydrogen Evolution》.COA of Formula: C5H3Br2N The author mentioned the following in the article:

The hydrogen evolution performance of organic photo-catalysts is lagged by numerous factors, such as the narrow photon absorption window, low charge transport, and so on. In this paper, four linear conjugated polymers are designed and synthesized based on dibenzothiophene-S,S-dioxide as an acceptor, and aza-substituted thiophene-phenyl-thiophene with different substitution numbers as co-units. The polymers with the thiophene bridge and aza-substitution exhibit broad visible absorption because of the extended conjugated length and improved planar structures resulting from the intramol. non-covalent interactions (S···N or CH···N). The mono-substitution polymer without the addition of any co-catalysts shows the highest photo-catalytic performances with the hydrogen evolution rates of 8950 and 7388 μmol g-1 h-1 under the UV-vis (>295 nm) and visible (>420 nm) irradiation, resp. The corresponding apparent quantum yields are as high as 8.34, 5.37, and 1.96% for the 420, 500, and 550 nm monochromatic light irradiation, resp., which are much higher than those of the classic polymer (P7) without thiophene bridge and aza-substitution. This work indicats that the incorporation of thiophene bridge enhances visible absorption and aza-substitution optimized co-planarity and activate reactive sites, which should be an effective strategy to improve the photo-catalytic performance of linear conjugated polymers. In the part of experimental materials, we found many familiar compounds, such as 2,5-Dibromopyridine(cas: 624-28-2COA of Formula: C5H3Br2N)

2,5-Dibromopyridine(cas: 624-28-2) 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.COA of Formula: C5H3Br2N

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

《Roles of Ancillary Chelates and Overall Charges of Bis-tridentate Ir(III) Phosphors for OLED Applications》 was published in ACS Applied Materials & Interfaces in 2020. These research results belong to Hsu, Ling-Yang; Chen, Deng-Gao; Liu, Shih-Hung; Chiu, Ting-Ya; Chang, Chih-Hao; Jen, Alex K.-Y.; Chou, Pi-Tai; Chi, Yun. Computed Properties of C5H3Br2N The article mentions the following:

A series of charge-neutral bis-tridentate Ir(III) complexes (1, 3, and 4) were prepared via employing three distinctive tridentate prochelates, i.e., (pzptBphFO)H2, [(phpyim)H2·(PF6)], and [(pimb)H3·(PF6)2], which possess one dianionic pzptBphFO, together with a second monoanionic tridentate chelate, namely, (pzptBphFO)H, phpyim, and pimb, resp. Moreover, a homoleptic, charge-neutral complex 2 was obtained by methylation of chelating (pzptBphFO)H of 1 in basic media, while closely related cationic complexes 5-7 were obtained by further methylation of the remaining pyrazolate unit of previously mentioned neutral complexes 2-4, followed by anion metatheses. All of these Ir(III) metal complexes showed a broadened emission profile with an onset at ∼450 nm, a result of an enlarged ligand-centered ππ* transition gap, but with distinct efficiencies ranging from 0.8% to nearly unity. Comprehensive spectroscopic and computational approaches were executed, providing a correlation for the emission efficiencies vs. energy gaps and between the metal-to-ligand charge transfer/ππ* emitting excited state and upper-lying metal-centered dd quenching state. Furthermore, Ir(III) complexes 3 and 4 were selected as dopant emitters in the fabrication of sky-blue phosphorescent organic light-emitting diodes, affording maximum external quantum efficiencies of 16.7 and 14.6% with CIEx,y coordinates of (0.214, 0.454) and (0.191, 0.404) at a c.d. of 102 cd/m2, resp. Hence, this research highlights an inherent character of bis-tridentate Ir(III) complexes in achieving high phosphorescence quantum yield at the mol. level. In the experimental materials used by the author, we found 2,6-Dibromopyridine(cas: 626-05-1Computed Properties of C5H3Br2N)

2,6-Dibromopyridine(cas: 626-05-1) belongs to pyridine. Pyridine is widely used in the precursor to agrochemicals and pharmaceuticals. Also, it is used as an important reagent and organic solvent.Computed Properties of C5H3Br2N

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

The author of 《Bioactive NHC-derived palladium complexes: synthesis, catalytic activity for the Suzuki-Miyaura coupling of aryl chlorides and bromides and their antibacterial activities》 were Boubakri, Lamia; Al-Ayed, Abdullah S.; Mansour, L.; Abutaha, Nael; Harrath, Abdel Halim; Ozdemir, I.; Yasar, S.; Hamdi, Naceur. And the article was published in Journal of Coordination Chemistry in 2019. Product Details of 626-05-1 The author mentioned the following in the article:

Pd(II)-bis(NHC) complexes (NHC = N-heterocyclic carbene) bearing asym. and sym. substituted NHC-ligand were synthesized via deprotonation of 5,6-dimethylbenzimidazolium salts. The NHC precursors were achieved via the two step N-alkylation of 5,6-dimethylbenzimidazole. The resultant salts were deprotonated with PdCl2 and K2CO3 in dry THF for (2a-2e). The obtained complexes were identified and characterized by 1H and 13C NMR, FTIR, DART-TOF mass spectrometry and elemental anal. These new Pd(II)-bis(NHC) complexes were applied as catalyst precursors for Suzuki-Miyaura cross-coupling reactions of aryl bromides and chlorides with phenylboronic acid to afford the corresponding products in good yields. This catalytic reaction was evaluated in the presence of KOtBu/toluene. The antibacterial activities of (2a-2e) were studied against Gram (+)/(-) bacteria using the agar dilution procedure. The antibacterial activities of 2 vary with the nature of the ligands; MIC values of (2a-2e) were determined The results came from multiple reactions, including the reaction of 2,6-Dibromopyridine(cas: 626-05-1Product Details of 626-05-1)

2,6-Dibromopyridine(cas: 626-05-1) belongs to pyridine. When pyridine is adsorbed on oxide surfaces or in porous materials, the following species are commonly observed: (i) pyridine coordinated to Lewis acid sites, (ii) pyridine H-bonded to weakly acidic hydroxyls, and (iii) protonated pyridine. At high coverage, physisorbed pyridine and protonated dimers can also be observed.Product Details of 626-05-1

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

The author of 《Preparation and characterization of PEPPSI-palladium N-heterocyclic carbene complexes using benzimidazolium salts catalyzed Suzuki-Miyaura cross coupling reaction and their antitumor and antimicrobial activities》 were Boubakri, Lamia; Dridi, Khaireddine; Sulaiman Al-Ayed, Abduallah; Ozdemir, Ismail; Yasar, Sedat; Hamdi, Naceur. And the article was published in Journal of Coordination Chemistry in 2019. Reference of 2,6-Dibromopyridine The author mentioned the following in the article:

New palladium complexes were efficiently synthesized from the reaction of benzimidazolium salts 2a-e, potassium carbonate (K2CO3) and palladium chloride (PdCl2) in pyridine (for 3a-e). The catalytic activity of these complexes in a catalytic system including palladium complexes and K2CO3 in DMF-H2O was evaluated in Suzuki-Miyaura cross-coupling reactions of aryl bromides and chlorides with phenylboronic acid. The authors’ novel complexes show excellent catalytic activities with high turnover numbers (TON) and high turnover frequencies (TOF) (e.g. for the Suzuki-Miyaura reaction: TON up to 370 and TOF up to 123.3 h-1). Both benzimidazolium salts 2a-e and complexes 3 were characterized using spectroscopic data and elemental anal. The antimicrobial activity of the N-heterocyclic carbene palladium complexes 3a-e varies with the nature of the ligands. Also, the IC50 values of both, complexes (3a-e) and benzimidazoles 2a-e, were determined The new palladium complexes were screened for their antitumor activity. Complexes 3e and 3d exhibited the highest antitumor effect with IC50 values 6.85 μg/mL against MCF-7 and 10.75 μg/mL against T47D, resp. In addition to this study using 2,6-Dibromopyridine, there are many other studies that have used 2,6-Dibromopyridine(cas: 626-05-1Reference of 2,6-Dibromopyridine) was used in this study.

2,6-Dibromopyridine(cas: 626-05-1) belongs to pyridine. When pyridine is adsorbed on oxide surfaces or in porous materials, the following species are commonly observed: (i) pyridine coordinated to Lewis acid sites, (ii) pyridine H-bonded to weakly acidic hydroxyls, and (iii) protonated pyridine. At high coverage, physisorbed pyridine and protonated dimers can also be observed.Reference of 2,6-Dibromopyridine

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

In 2018,Gealageas, Ronan; Devineau, Alice; So, Pauline P. L.; Kim, Catrina M. J.; Surendradoss, Jayakumar; Buchwalder, Christian; Heller, Markus; Goebeler, Verena; Dullaghan, Edith M.; Grierson, David S.; Putnins, Edward E. published 《Development of Novel Monoamine Oxidase-B (MAO-B) Inhibitors with Reduced Blood-Brain Barrier Permeability for the Potential Management of Noncentral Nervous System (CNS) Diseases》.Journal of Medicinal Chemistry published the findings.Application In Synthesis of 2-(Bromomethyl)pyridine hydrobromide The information in the text is summarized as follows:

Studies indicate that MAO-B is induced in peripheral inflammatory diseases. To target peripheral tissues using MAO-B inhibitors that do not permeate the blood-brain barrier (BBB) the MAO-B-selective inhibitor deprenyl was remodeled by replacing the terminal acetylene with a CO2H function, and incorporating a para-OCH2Ar motif (compounds 10a-s). Further, in compound 32 ((S)-N-[1-cyano-3-[4-[(3,4-dichlorobenzyl)oxy]phenyl]propan-2-yl]-N-methylglycine hydrochloride) the C-2 side chain corresponded to CH2CN. In vitro, 10c (N-[(R)-[1-[4-(3-chlorobenzyloxy)phenyl]propan-2-yl](methyl)]glycine hydrochloride), 10j, 10k, and 32 were identified as potent reversible MAO-B inhibitors, and all four compounds were more stable than deprenyl in plasma, liver microsomal, and hepatocyte stability assays. In vivo, they demonstrated greater plasma bioavailability. Assessment of in vitro BBB permeability showed that compound 10k is a P-glycoprotein (P-gp) substrate and 10j displayed mild interaction. Importantly, compounds 10c, 10j, 10k, and 32 displayed significantly reduced BBB permeability after i.v., s.c., and oral administration. These polar MAO-B inhibitors are pertinent leads for evaluation of efficacy in noncentral nervous system (CNS) inflammatory disease models. The results came from multiple reactions, including the reaction of 2-(Bromomethyl)pyridine hydrobromide(cas: 31106-82-8Application In Synthesis of 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. Application In Synthesis of 2-(Bromomethyl)pyridine hydrobromide

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

In 2016,Cross, Jason B.; Zhang, Jing; Yang, Qingyi; Mesleh, Michael F.; Romero, Jan Antoinette C.; Wang, Bin; Bevan, Doug; Poutsiaka, Katherine M.; Epie, Felix; Moy, Terence; Daniel, Anu; Shotwell, Joseph; Chamberlain, Brian; Carter, Nicole; Andersen, Ole; Barker, John; Ryan, M. Dominic; Metcalf, Chester A. III; Silverman, Jared; Nguyen, Kien; Lippa, Blaise; Dolle, Roland E. published 《Discovery of Pyrazolopyridones as a Novel Class of Gyrase B Inhibitors Using Structure Guided Design》.ACS Medicinal Chemistry Letters published the findings.SDS of cas: 29682-15-3 The information in the text is summarized as follows:

The ATPase subunit of DNA gyrase B is an attractive antibacterial target due to high conservation across bacteria and the essential role it plays in DNA replication. A novel class of pyrazolopyridone inhibitors was discovered by optimizing a fragment screening hit scaffold using structure guided design. These inhibitors show potent Gram-pos. antibacterial activity and low resistance incidence against clin. important pathogens. After reading the article, we found that the author used Methyl 5-bromopicolinate(cas: 29682-15-3SDS of cas: 29682-15-3)

Methyl 5-bromopicolinate(cas: 29682-15-3) 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. SDS of cas: 29682-15-3

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

Luo, Guanglin; Chen, Ling; Easton, Amy; Newton, Amy; Bourin, Clotilde; Shields, Eric; Mosure, Kathy; Soars, Matthew G.; Knox, Ronald J.; Matchett, Michele; Pieschl, Rick L.; Post-Munson, Debra J.; Wang, Shuya; Herrington, James; Graef, John; Newberry, Kimberly; Sivarao, Digavalli V.; Senapati, Arun; Bristow, Linda J.; Meanwell, Nicholas A.; Thompson, Lorin A.; Dzierba, Carolyn published an article on February 28 ,2019. The article was titled 《Correction to Discovery of Indole- and Indazole-acylsulfonamides as Potent and Selective NaV1.7 Inhibitors for the Treatment of Pain [Erratum to document cited in CA172:289998]》, and you may find the article in Journal of Medicinal Chemistry.Safety of 5-Bromo-3-chloro-2-isobutoxypyridine The information in the text is summarized as follows:

In Table 2, line 1, column 8 should be “”μM”” instead of “”nM””. In the experimental materials used by the author, we found 5-Bromo-3-chloro-2-isobutoxypyridine(cas: 1289093-31-7Safety of 5-Bromo-3-chloro-2-isobutoxypyridine)

5-Bromo-3-chloro-2-isobutoxypyridine(cas: 1289093-31-7) belongs to pyridine. Pyridine, its benzo and pyridine-based compounds play diverse roles in organic chemistry. As ligands, solvents, and catalysts they facilitate reactions; thus descriptions of these new ligands and their applications abound each year.Safety of 5-Bromo-3-chloro-2-isobutoxypyridine

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

《Mechanistic study of carboxylic acid and phosphate ester cleavage by oximate metal complexes surpassing the limiting reactivity of highly basic free oximate anions》 was written by Lugo-Gonzalez, Jose Carlos; Gomez-Tagle, Paola; Flores-Alamo, Marcos; Yatsimirsky, Anatoly K.. Name: 2-(Bromomethyl)pyridine hydrobromideThis research focused onzinc cadmium oximate complex preparation crystal structure chem stability; cleavage catalyst zinc cadmium oximate complex. The article conveys some information:

Two tridentate and one tetradentate new ligands containing the terminal oxime group separated from secondary amino and pyridine groups as addnl. binding sites by two or three methylene groups were prepared Their acid-base properties, as well as the composition and stability of their complexes with Zn(II) and Cd(II) ions, were determined by potentiometric and spectrophotometric titrations The x-ray structure of a Cd(II) complex of a related tridentate oxime ligand previously studied in solution was determined All oximate complexes show high reactivity in the cleavage of aryl acetates, paraoxon, parathion and 4-nitrophenyl di-Ph phosphate, with rate constants significantly surpassing the limiting rate constants observed for highly basic free oximate anions. The second-order rate constants for individual oximate complexes in solution are assigned to each ligand, metal cation and substrate. The results of the cleavage of 4-substituted Ph acetates were analyzed in terms of Bronsted correlations with the leaving group pKa, which demonstrated a change in the rate determining step from the nucleophilic attack to the leaving group departure upon an increase in the leaving group basicity. The zero slope of the Bronsted correlation for the nucleophilic attack indicates transition state stabilization through electrophilic assistance by the metal ion. This interpretation is supported by metal selectivity in the relative efficiency of the cleavage of paraoxon and parathion. The existence of the alpha-effect in ester cleavage by coordinated oximates is confirmed by an anal. of the Bronsted correlations with the nucleophile basicity for metal bound oximate and alkoxo or hydroxo nucleophiles. The very high reactivity of the oximate complexes of the new ligands is attributed to transition state stabilization and to the removal of the solvational imbalance of oximate anions that impedes the expected increase in the reactivity of highly basic free anions. In addition to this study using 2-(Bromomethyl)pyridine hydrobromide, there are many other studies that have used 2-(Bromomethyl)pyridine hydrobromide(cas: 31106-82-8Name: 2-(Bromomethyl)pyridine hydrobromide) was used in this study.

2-(Bromomethyl)pyridine hydrobromide(cas: 31106-82-8) belongs to pyridine. Pyridine-based materials are valued for their optical and physical properties as well as their medical potential. Additionally, pyridine-based natural products continue to be discovered and studied for their properties and to understand their biosynthesis.Name: 2-(Bromomethyl)pyridine hydrobromide

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem

SDS of cas: 29682-15-3In 2013 ,《Structural Basis and SAR for G007-LK, a Lead Stage 1,2,4-Triazole Based Specific Tankyrase 1/2 Inhibitor》 was published in Journal of Medicinal Chemistry. The article was written by Voronkov, Andrew; Holsworth, Daniel D.; Waaler, Jo; Wilson, Steven R.; Ekblad, Bie; Perdreau-Dahl, Harmonie; Dinh, Huyen; Drewes, Gerard; Hopf, Carsten; Morth, Jens P.; Krauss, Stefan. The article contains the following contents:

Tankyrases 1 and 2 (TNKS1/2) are promising pharmacol. biotargets with possible applications for the development of novel anticancer therapeutics. A focused structure-activity relationship study was conducted based on the tankyrase inhibitor JW74 (1). Chem. analoging of 1 improved the 1,2,4-triazole based core and led to 4-{5-[(E)-2-{4-(2-chlorophenyl)-5-[5-(methylsulfonyl)pyridin-2-yl]-4H-1,2,4-triazol-3-yl}ethenyl]-1,3,4-oxadiazol-2-yl}benzonitrile (G007-LK), a potent, “”rule of 5″” compliant and a metabolically stable TNKS1/2 inhibitor. G007-LK (66) displayed high selectivity toward tankyrases 1 and 2 with biochem. IC50 values of 46 nM and 25 nM, resp., and a cellular IC50 value of 50 nM combined with an excellent pharmacokinetic profile in mice. The PARP domain of TNKS2 was cocrystd. with 66, and the X-ray structure was determined at 2.8 Å resolution in the space group P3221. The structure revealed that 66 binds to unique structural features in the extended adenosine binding pocket which forms the structural basis for the compound’s high target selectivity and specificity. Our study provides a significantly optimized compound for targeting TNKS1/2 in vitro and in vivo. After reading the article, we found that the author used Methyl 5-bromopicolinate(cas: 29682-15-3SDS of cas: 29682-15-3)

Methyl 5-bromopicolinate(cas: 29682-15-3) 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. SDS of cas: 29682-15-3

Referemce:
Pyridine – Wikipedia,
Pyridine | C5H5N – PubChem