Tag: 200-300

The author of 《Discovery and Characterization of 2-Nitro-5-(4-(phenylsulfonyl)piperazin-1-yl)-N-(pyridin-4-ylmethyl)anilines as Novel Inhibitors of the Aedes aegypti Kir1 (AeKir1) Channel》 were Aretz, Christopher D.; Morwitzer, M. Jane; Sanford, Austin G.; Hogan, Alicia M.; Portillo, Madelene V.; Kharade, Sujay V.; Kramer, Meghan; McCarthey, James B.; Trigueros, Renata Rusconi; Piermarini, Peter M.; Denton, Jerod S.; Hopkins, Corey R.. And the article was published in ACS Infectious Diseases in 2019. SDS of cas: 105942-08-3 The author mentioned the following in the article:

Mosquito-borne arboviral diseases such as Zika, dengue fever, and chikungunya are transmitted to humans by infected adult female Aedes aegypti mosquitoes and affect a large portion of the world’s population. The Kir1 channel in Ae. aegypti (AeKir1) is an important ion channel in the functioning of mosquito Malpighian (renal) tubules and one that can be manipulated in order to disrupt excretory functions in mosquitoes. We have previously reported the discovery of various scaffolds that are active against the AeKir1 channel. Herein we report the synthesis and biol. characterization of a new 2-nitro-5-(4-(phenylsulfonyl) piperazin-1-yl)-N-(pyridin-4-ylmethyl)anilines scaffold as inhibitors of AeKir1. This new scaffold is more potent in vitro compared to the previously reported scaffolds, and the mols. kill mosquito larvae. The experimental process involved the reaction of 4-Bromo-2-fluorobenzonitrile(cas: 105942-08-3SDS of cas: 105942-08-3)

4-Bromo-2-fluorobenzonitrile(cas:105942-08-3) is used as a OLED intermediate, Pharmaceutical, electronic and chemical intermediate.SDS of cas: 105942-08-3 It is used in the synthesis of heterocycles and liquid crystals.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

The author of 《Polymorphism and thermodynamic functions of liquid crystalline material 4-cyano-3-fluorophenyl 4-butylbenzoate》 were Inaba, Akira; Suzuki, Hal; Massalska-Arodz, Maria; Rozwadowski, Tomasz. And the article was published in Journal of Chemical Thermodynamics in 2012. HPLC of Formula: 86776-52-5 The author mentioned the following in the article:

Heat capacity measurements were conducted between temperatures of 5 K and 360 K by adiabatic calorimetry for the liquid crystalline material 4-cyano-3-fluorophenyl 4-butylbenzoate to investigate the phase behavior and determine the thermodn. functions. Five phases are identified: the metastable nematic phase, its glass phase (T g = 210 K), stable crystal I (T fus = 288.43 K), a new metastable crystal (crystal II), and the isotropic liquid The enthalpy of fusion of crystal I is 22.22 kJ · mol-1, and the entropy is 76.91 J · K-1 · mol-1. Polarizing microscopy observations were also conducted between T = 100 K and 300 K to confirm the phase behavior. The m.p. of crystal II (T fus = 286 K) and the clearing temperature of the nematic phase (T c = 279.4 K) were obtained using a microscope. On the other hand, the enthalpy of the clearing transition (526 J · mol-1) and the entropy (1.88 J · K-1 · mol-1) were obtained from the thermodn. functions. The Debye temperature of crystal II (55.3 K) is significantly lower than that of crystal I (60.7 K), indicating that the phonon d. of states is considerably different between the two crystals. The existence of low-energy excitations in the nematic glass and a low-energy shift of the intramol. modes in crystal II are also identified. In the experiment, the researchers used many compounds, for example, 4-Cyano-3-fluorophenyl 4-butylbenzoate(cas: 86776-52-5HPLC of Formula: 86776-52-5)

4-Cyano-3-fluorophenyl 4-butylbenzoate(cas: 86776-52-5) is a member of aromaticfluorinated building blocks. Depending on which substituents are present, fluoroaromatic intermediates can be converted into fluorinated or fluorine-free commercial end products.Fluorine-containing aromatics have been incorporated into drugs (hypnotics, tranquilizers, antiinflammatory agents, analgesics, antibacterials).HPLC of Formula: 86776-52-5

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

《Negative pressure effects on molecular dynamics and phase diagram of glass-forming nematic liquid crystal 4-cyano-3-fluorophenyl 4-butylbenzoate (4CFPB) confined in nanopores》 was written by Rozwadowski, Tomasz; Massalska-Arodz, Maria; Jasiurkowska-Delaporte, Malgorzata. COA of Formula: C18H16FNO2 And the article was included in Journal of Molecular Liquids on April 1 ,2019. The article conveys some information:

Here, we show the method to determine the pressure conditions for liquid crystal restricted in nanochannels. For this purpose, broadband dielec. spectroscopy studies of 4CFPB glass-forming nematic liquid crystal at various pressure conditions and confined in non-intersecting nanopores of mean diameters 6 nm and 8 nm were combined. The pressure dependence of 4CFPB clearing point occurred to be linear and enabled to find pressure conditions in restricted spatial geometry. The pressure evolution of glass transition temperature was non-linear and was described well using the Andersson-Andersson law. Based on the presented results, the temperature-pressure phase diagram was constructed. In the part of experimental materials, we found many familiar compounds, such as 4-Cyano-3-fluorophenyl 4-butylbenzoate(cas: 86776-52-5COA of Formula: C18H16FNO2)

4-Cyano-3-fluorophenyl 4-butylbenzoate(cas: 86776-52-5) is a member of aromaticfluorinated building blocks. Depending on which substituents are present, fluoroaromatic intermediates can be converted into fluorinated or fluorine-free commercial end products.Fluorine-containing aromatics have been incorporated into drugs (hypnotics, tranquilizers, antiinflammatory agents, analgesics, antibacterials).COA of Formula: C18H16FNO2

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Application In Synthesis of 4-Bromo-2-fluorobenzonitrileIn 2022 ,《From Fragment to Lead: De Novo Design and Development toward a Selective FGFR2 Inhibitor》 was published in Journal of Medicinal Chemistry. The article was written by Turner, Lewis D.; Trinh, Chi H.; Hubball, Ryan A.; Orritt, Kyle M.; Lin, Chi-Chuan; Burns, Julie E.; Knowles, Margaret A.; Fishwick, Colin W. G.. The article contains the following contents:

Fibroblast growth factor receptors (FGFRs) are implicated in a range of cancers with several pan-kinase and selective-FGFR inhibitors currently being evaluated in clin. trials. Pan-FGFR inhibitors often cause toxic side effects and few examples of subtype-selective inhibitors exist. Herein, we describe a structure-guided approach toward the development of a selective FGFR2 inhibitor. De novo design was carried out on an existing fragment series to yield compounds predicted to improve potency against the FGFRs. Subsequent iterative rounds of synthesis and biol. evaluation led to an inhibitor with nanomolar potency that exhibited moderate selectivity for FGFR2 over FGFR1/3. Subtle changes to the lead inhibitor resulted in a complete loss of selectivity for FGFR2. X-ray crystallog. studies revealed inhibitor-specific morphol. differences in the P-loop which were posited to be fundamental to the selectivity of these compounds Addnl. docking studies have predicted an FGFR2-selective H-bond which could be utilized to design more selective FGFR2 inhibitors. The experimental part of the paper was very detailed, including the reaction process of 4-Bromo-2-fluorobenzonitrile(cas: 105942-08-3Application In Synthesis of 4-Bromo-2-fluorobenzonitrile)

4-Bromo-2-fluorobenzonitrile(cas:105942-08-3) is used as a OLED intermediate, Pharmaceutical, electronic and chemical intermediate.Application In Synthesis of 4-Bromo-2-fluorobenzonitrile It is used in the synthesis of heterocycles and liquid crystals.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Related Products of 105942-08-3In 2018 ,《Efflux pump inhibition by 11H-pyrido[2,1-b]quinazolin-11-one analogues in mycobacteria》 appeared in Bioorganic & Medicinal Chemistry. The author of the article were Sen, Tejosmita; Neog, Kashmiri; Sarma, Sangita; Manna, Prasenjit; Deka Boruah, Hari Prasanna; Gogoi, Pranjal; Singh, Anil Kumar. The article conveys some information:

Mycobacterium tuberculosis infection causes 1.8 million deaths worldwide, of which half a million has been diagnosed with resistant tuberculosis (TB). Emergence of multi drug resistant and extensive drug resistant strains has made all the existing anti-TB therapy futile. The major involvement of efflux pump in drug resistance has made it a direct approach for therapeutic exploration against resistant M. tuberculosis. This study demarcates the role of 11H-pyrido[2,1-b]quinazolin-11-one (quinazolinone) analogs as efflux pump inhibitor in Mycobacterium smegmatis. Sixteen quinazolinone analogs were synthesized by treating 2-aminopyridine and 2-fluorobenzonitrile with KtOBu. Analogs were tested, and 3a, 3b, 3c, 3g, 3j, 3l, 3m, and 3p were found to modulate EtBr MIC by >4 whereas 3a, 3g, 3i and 3o showed >4 modulation on norfloxacin MIC. 3l and 3o in addition to their very low toxicity they showed high EtBr and norfloxacin accumulation resp. Time kill curve showed effective log reduction in colony forming unit in presence of these analogs, thus confirming their role as efflux pump inhibitor. Through docking and alignment studies, we have also shown that the LfrA amino acid residues that the analogs are interacting with are present in Rv2333c and Rv2846c of M. tuberculosis. This study have shown for the first time the possibility of developing the 11H-pyrido[2,1-b]quinazolin-11-one analogs as efflux pump inhibitors for M. smegmatis and hence unbolts the scope to advance this study against resistant M. tuberculosis as well. In the experiment, the researchers used 4-Bromo-2-fluorobenzonitrile(cas: 105942-08-3Related Products of 105942-08-3)

4-Bromo-2-fluorobenzonitrile(cas:105942-08-3) is used as a OLED intermediate, Pharmaceutical, electronic and chemical intermediate.Related Products of 105942-08-3 It is used in the synthesis of heterocycles and liquid crystals.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Reference of 2-(2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrileOn March 4, 2016, Tsukamoto, Hirokazu; Ikeda, Taishi; Doi, Takayuki published an article in Journal of Organic Chemistry. The article was 《Palladium(II)-Catalyzed Annulation of Alkynes with 2-(Cyanomethyl)phenylboronates Leading to 3,4-Disubstituted 2-Naphthalenamines》. The article mentions the following:

1,2-Bis(diphenylphosphino)ethane (dppe)-ligated palladium(II) complexes catalyze the annulation of internal alkynes with 2-(cyanomethyl)phenylboronates to provide 3,4-disubstituted-2-naphthalenamines in good yields. The annulation reaction proceeds under mild and neutral conditions and requires methanol as an essential solvent. In addition to sym. alkynes, unsym. alkynes substituted by aryl, alkyl, and alkynyl groups participate in the annulation to afford the corresponding 2-naphthalenamines with electron-withdrawing sp2- and sp-carbons preferentially located at the C-3 position. Substituents including an alkyl or alkoxy group on the cyanomethyl moiety and a halogen atom on the benzene ring in the boronates are compatible with the reaction conditions. The annulation proceeds through the transmetalation of the palladium(II) complexes with the boronates and alkyne insertion followed by nucleophilic addition of the generated alkenylpalladium(II) species to the intramol. cyano group. Stoichiometric reactions revealed that the methanol solvent was effective for both transmetalation and catalyst regeneration. In the experiment, the researchers used 2-(2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile(cas: 325141-71-7Reference of 2-(2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile)

2-(2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile(cas: 325141-71-7) belongs to nitriles. Nitriles are found in many useful compounds. Nitrile rubber is also widely used as automotive and other seals since it is resistant to fuels and oils. Organic compounds containing multiple nitrile groups are known as cyanocarbons.Reference of 2-(2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)acetonitrile

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

《Biaryl Cross-Coupling Enabled by Photo-Induced Electron Transfer》 was published in Advanced Synthesis & Catalysis in 2020. These research results belong to Hayashi, Hirohito; Wang, Bin; Wu, Xiangyang; Teo, Shi Jie; Kaga, Atsushi; Watanabe, Kohei; Takita, Ryo; Yeow, Edwin K. L.; Chiba, Shunsuke. Product Details of 105942-08-3 The article mentions the following:

A protocol for aryl cross-coupling of electron-deficient aryl halides ArX (Ar = 3-formylphenyl, 4-formylfuran-2-yl, 2-(methoxycarbonyl)pyrimidin-5-yl, etc.; X = Br, Cl) with electron-rich (hetero)arenes Ar1H (Ar1 = Ph, 1-methyl-1H-pyrrol-2-yl, pyrazin-2-yl, etc.) that is driven solely by violet light was reported. This process takes advantage of formation of photo-excited state of electron-deficient aryl halides, that are reduced by electron-rich (hetero)arenes to form a pair of aryl anion and cation radicals. The resulting aryl anion radicals of aryl halides undergo mesolysis of the carbon-halogen bond to generate aryl radicals, that are coupled most likely with aryl cation radicals to afford functionalized biaryls ArAr1. In addition to this study using 4-Bromo-2-fluorobenzonitrile, there are many other studies that have used 4-Bromo-2-fluorobenzonitrile(cas: 105942-08-3Product Details of 105942-08-3) was used in this study.

4-Bromo-2-fluorobenzonitrile(cas:105942-08-3) is used as a reagent in the synthesis of picolinamide derivatives as a novel class of 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors.Product Details of 105942-08-3 4-Bromo-2-fluorobenzonitrile is also used in the preparation of fluorinated CB2 receptor agonists for PET imaging.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

The author of 《Rational Design of an Organocatalyst for Peptide Bond Formation》 were Handoko; Satishkumar, Sakilam; Panigrahi, Nihar R.; Arora, Paramjit S.. And the article was published in Journal of the American Chemical Society in 2019. Product Details of 105942-08-3 The author mentioned the following in the article:

Amide bonds are ubiquitous in peptides, proteins, pharmaceuticals and polymers. The formation of amide bonds is a relatively straightforward process: amide bonds can be synthesized with relative ease because of the availability of efficient coupling agents. However, there is a substantive need for methods that do not require excess reagents. A catalyst that condenses amino acids could have an important impact by reducing the significant waste generated during peptide synthesis. We describe the rational design of a biomimetic catalyst that can efficiently couple amino acids featuring standard protecting groups. The catalyst design combines lessons learned from enzymes, peptide biosynthesis, and organocatalysts. Under optimized conditions, 5 mol% catalyst efficiently couples Fmoc (Fmoc = 9-fluorenyl methoxycarbonyl) amino acids without significant racemization. Significantly, we demonstrate that the catalyst is functional for the synthesis of oligopeptides on solid phase. This result is significant because it illustrates the potential of the catalyst to function on a substrate with a multitude of amide bonds, which may be expected to inhibit a hydrogen bonding catalyst. In the experimental materials used by the author, we found 4-Bromo-2-fluorobenzonitrile(cas: 105942-08-3Product Details of 105942-08-3)

4-Bromo-2-fluorobenzonitrile(cas:105942-08-3) is used as a OLED intermediate, Pharmaceutical, electronic and chemical intermediate.Product Details of 105942-08-3 It is used in the synthesis of heterocycles and liquid crystals.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

In 2019,Journal of the American Chemical Society included an article by Li, Jie; Tan, Eric; Keller, Niklas; Chen, Yi-Hung; Zehetmaier, Peter M.; Jakowetz, Andreas C.; Bein, Thomas; Knochel, Paul. Electric Literature of C7H3BrFN. The article was titled 《Cobalt-Catalyzed Electrophilic Aminations with Anthranils: An Expedient Route to Condensed Quinolines》. The information in the text is summarized as follows:

The reaction of various organozinc pivalates with anthranils provides anilines derivatives, which cyclize under acidic conditions providing condensed quinolines. Using alkenylzinc pivalates, electron-rich arylzinc pivalates or heterocyclic zinc pivalates produces directly the condensed quinolines of which several structures belong to new heterocyclic scaffolds. These N-heterocycles are of particular interest for organic light emitting diodes with their high photoluminescence quantum yields and long exciton lifetimes as well as for hole-transporting materials in methylammonium lead iodide perovskites solar cells due to an optimal band alignment for holes and a large bandgap. The experimental process involved the reaction of 4-Bromo-2-fluorobenzonitrile(cas: 105942-08-3Electric Literature of C7H3BrFN)

4-Bromo-2-fluorobenzonitrile(cas:105942-08-3) is used as a reagent in the synthesis of picolinamide derivatives as a novel class of 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors.Electric Literature of C7H3BrFN 4-Bromo-2-fluorobenzonitrile is also used in the preparation of fluorinated CB2 receptor agonists for PET imaging.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

In 2018,Li, Jie; Knochel, Paul published 《Cobalt-Catalyzed Cross-Couplings between Alkenyl Acetates and Aryl or Alkenyl Zinc Pivalates》.Angewandte Chemie, International Edition published the findings.Recommanded Product: 4-Bromo-2-fluorobenzonitrile The information in the text is summarized as follows:

CoBr2 (5 mol %) in the presence of 2,2′-bipyridyl (5 mol %) enables electrophilic alkenylations between easily accessible alkenyl acetates or tosylates and various functionalized aryl zinc pivalates at ambient temperature This cobalt-catalyzed process was further applicable to alkenyl zinc pivalates to provide substituted 1,3-dienes. The experimental part of the paper was very detailed, including the reaction process of 4-Bromo-2-fluorobenzonitrile(cas: 105942-08-3Recommanded Product: 4-Bromo-2-fluorobenzonitrile)

4-Bromo-2-fluorobenzonitrile(cas:105942-08-3) is used as a reagent in the synthesis of picolinamide derivatives as a novel class of 11β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors.Recommanded Product: 4-Bromo-2-fluorobenzonitrile 4-Bromo-2-fluorobenzonitrile is also used in the preparation of fluorinated CB2 receptor agonists for PET imaging.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts