Month: October 2022

Seelam, Preethi P.; Mitra, Abhijit; Sharma, Purshotam published the artcile< Pairing interactions between nucleobases and ligands in aptamer:ligand complexes of riboswitches: crystal structure analysis, classification, optimal structures, and accurate interaction energies>, COA of Formula: C7H5N5O, the main research area is nucleobases ligands riboswitches crystal structure.

In the present work, 67 crystal structures of the aptamer domains of RNA riboswitches are chosen for anal. of the structure and strength of hydrogen bonding (pairing) interactions between nucleobases constituting the aptamer binding pockets and the bound ligands. A total of 80 unique base:ligand hydrogen-bonded pairs containing at least two hydrogen bonds were identified through visual inspection. Classification of these contacts in terms of the interacting edge of the aptamer nucleobase revealed that interactions involving the Watson-Crick edge are the most common, followed by the sugar edge of purines and the Hoogsteen edge of uracil. Alternatively, classification in terms of the chem. constitution of the ligand yields five unique classes of base:ligand pairs: base:base, base:amino acid, base:sugar, base:phosphate, and base:other. This indicates that these contacts are well-defined RNA aptamer:ligand interaction motifs. The anal. was further extended to study the biol. importance of base:ligand interactions in the binding pocket of the tetrahydrofolate riboswitch and thiamine pyrophosphate riboswitch. Overall, our study helps in understanding the structural and energetic features of base:ligand pairs in riboswitches, which could aid in developing meaningful hypotheses in the context of RNA:ligand recognition. This can, in turn, contribute toward current efforts to develop antimicrobials that target RNAs.

RNA published new progress about Amino acids Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 69205-79-4 belongs to class nitriles-buliding-blocks, and the molecular formula is C7H5N5O, COA of Formula: C7H5N5O.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Zhang, Wei; Tao, Shanqing; Ge, Huaibin; Li, Qiao; Ai, Zhenkang; Li, Xiaoxian; Zhang, Beibei; Sun, Fengxia; Xu, Xiaqing; Du, Yunfei published the artcile< Construction of 2-Arylbenzo[4,5]thieno[2,3-d]thiazole Skeleton via CuCl/S-Mediated Three-Component Reaction>, Quality Control of 886761-96-2, the main research area is arylbenzothienothiazole derivative preparation; bromophenylacetonitrile arylaldehyde sulfur three component reaction copper chloride.

An exclusive thiophene-fused polycyclic π-conjugated 2-arylbenzo[4,5]thieno[2,3-d]thiazole skeleton was constructed via a one-pot CuCl-mediated three-component reaction, using 2-(2-bromophenyl)acetonitrile and aromatic aldehydes as substrates and elemental sulfur as sulfur source in the presence of K2CO3 and 1,10-phenanthroline in DMSO. A plausible reaction mechanism was proposed, which involved formation of benzo[b]thiophen-2-amines through cyclization of 2-bromophenyl acetonitrile and sulfur, and subsequent intramol. condensation/dehydrogenation with aromatic aldehydes.

Organic Letters published new progress about Aryl aldehydes Role: RCT (Reactant), RACT (Reactant or Reagent). 886761-96-2 belongs to class nitriles-buliding-blocks, and the molecular formula is C8H5BrFN, Quality Control of 886761-96-2.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Mai, Duy N.; Wolfe, John P. published the artcile< Asymmetric Palladium-Catalyzed Carboamination Reactions for the Synthesis of Enantiomerically Enriched 2-(Arylmethyl)- and 2-(Alkenylmethyl)pyrrolidines>, Electric Literature of 6136-93-2, the main research area is pentenylamine asym carboamination bromide aryl alkenyl palladium catalyst; pyrrolidine arylmethyl asym preparation; alkenylmethyl pyrrolidine asym preparation; tylophorine asym preparation.

The enantioselective synthesis of 2-(arylmethyl)- and 2-(alkenylmethyl)pyrrolidine derivatives, e.g., I, via Pd-catalyzed alkene carboamination reactions was described. These transformations generated enantiomerically enriched products with up to 94% ee from readily available alkenyl or aryl bromides and N-Boc-pent-4-enylamines. The application of this method to a concise asym. synthesis of (-)-tylophorine was also discussed.

Journal of the American Chemical Society published new progress about Amination catalysts (stereoselective, intramol., carbo-). 6136-93-2 belongs to class nitriles-buliding-blocks, and the molecular formula is C6H11NO2, Electric Literature of 6136-93-2.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Paul, Saurav; Roy, Ashalata; Deka, Suman Jyoti; Panda, Subhankar; Trivedi, Vishal; Manna, Debasis published the artcile< Nitrobenzofurazan derivatives of N'-hydroxyamidines as potent inhibitors of indoleamine-2,3-dioxygenase 1>, Application of C8H5F2N, the main research area is nitrobenzofurazan hydroxyamidine preparation inhibitor indoleaminedioxygenase antitumor mol docking; High selectivity; IDO1 inhibition; Low cytotoxicity; Mechanism-based drug design; N′-hydroxyamidines.

Tryptophan metabolism through the kynurenine pathway is considered as a crucial mechanism in immune tolerance. Indoleamine 2,3-dioxygenase 1 (IDO1) plays a key role in tryptophan catabolism in the immune system and it is also considered as an important therapeutic target for the treatment of cancer and other diseases that are linked with kynurenine pathway. Nitrobenzofurazan derivatives of N’-hydroxybenzimidamides and N’-hydroxy-2-phenylacetimidamides were synthesized and their inhibitory activities against human IDO1 enzyme were tested using in-vitro and cellular enzyme activity assay. The optimization leads to the identification of three potent compounds (IC50 = 39-80 nM), which are either competitive or uncompetitive inhibitors of IDO1 enzyme. These compounds also showed IDO1 inhibition potencies in the nanomolar range (IC50 = 50-71 nM) in MDA-MB-231 cells with no/negligible amount of cytotoxicity. The stronger selectivity of the potent compounds for IDO1 enzyme over tryptophan 2,3-dioxygenase (TDO) enzyme (312-1593-fold) also makes them very attractive for further immunotherapeutic applications.

European Journal of Medicinal Chemistry published new progress about Amidines Role: PAC (Pharmacological Activity), PRP (Properties), RCT (Reactant), SPN (Synthetic Preparation), THU (Therapeutic Use), BIOL (Biological Study), RACT (Reactant or Reagent), PREP (Preparation), USES (Uses) (hydroxyamidines). 658-99-1 belongs to class nitriles-buliding-blocks, and the molecular formula is C8H5F2N, Application of C8H5F2N.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Xie, Hao; Li, Guozheng; Zhang, Feng; Xiao, Fuhong; Deng, Guo-Jun published the artcile< Efficient synthesis of 1,2-benzisothiazoles from o-haloarylamidines and elemental sulfur via N-S/C-S bond formation under transition-metal-free conditions>, Formula: C8H6ClN, the main research area is haloaryl phenylamidine preparation sulfur heterocyclization; benzisothiazole preparation.

An efficient method for the synthesis of 1,2-benzisothiazoles from amidines and elemental sulfur via N-S/C-S bond formation under transition-metal-free conditions was described. This reaction was performed smoothly under simple conditions to give the corresponding products in good to high yields with good functional group tolerance.

Green Chemistry published new progress about Amidines Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 21423-84-7 belongs to class nitriles-buliding-blocks, and the molecular formula is C8H6ClN, Formula: C8H6ClN.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Suzuki, Itaru; Ogura, Kazuki; Shimazu, Jun-ya; Shibata, Ikuya published the artcile< Magnesium Halide-Catalyzed Synthesis of Oxaspiro[2.5]octenes from a Methylenecyclopropane and Acyl Cyanoalkenes>, Recommanded Product: 3-(3-Chlorophenyl)-3-oxopropanenitrile, the main research area is oxaspirooctene preparation diastereoselective chemoselective; methylenecyclopropane acyl cyanoalkene cyclization magnesium halide catalyst.

MgX2-catalyzed annulation of 1,1-di-Et 2-methylidenecyclopropane-1,1-dicarboxylate with acyl cyanoalkenes RC(O)C(CN)=CHAr (R = Me, Ph, 3-chlorophenyl, etc.; Ar = 4-fluorophenyl, 1-naphthyl, 2-furyl, etc.) was accomplished to give oxaspiro[2.5]octenes I (E = C(O)OEt) and II in excellent yields. The reaction proceeded through a rare intramol. oxa-Michael addition of Mg enolate. The oxaspiro ring was transformed into di-Et 2-((5-cyano-4,6-diphenyl-4H-pyran-2-yl)methyl)malonate at a higher temperature in the presence of MgX2.

European Journal of Organic Chemistry published new progress about Chemoselectivity. 21667-62-9 belongs to class nitriles-buliding-blocks, and the molecular formula is C9H6ClNO, Recommanded Product: 3-(3-Chlorophenyl)-3-oxopropanenitrile.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Gonzalez-Fernandez, Rebeca; Crochet, Pascale; Cadierno, Victorio published the artcile< Synthesis of β-hydroxyamides through ruthenium-catalyzed hydration/transfer hydrogenation of β-ketonitriles in water: Scope and limitations>, Formula: C9H6ClNO, the main research area is ketonitrile preparation ruthenium catalyst tandem hydration transfer hydrogenation; hydroxyamide preparation.

A cascade process for the straightforward one-pot conversion of β-ketonitriles into β-hydroxyamides was reported. The process, that proceeded in water employing the arene-ruthenium(II) complex [RuCl2(η6-p-cymene){P(4-C6H4F)2Cl}] as catalyst in combination with sodium formate involved the initial hydration of the β-ketonitrile substrates to generate the corresponding β-ketoamide intermediates which subsequently undergo the transfer hydrogenation (TH) of the carbonyl group. Employing a family of forty different β-ketonitriles featuring diverse substitution patterns, the scope and limitations of the processed was established.

Journal of Organometallic Chemistry published new progress about Amides, hydroxy Role: SPN (Synthetic Preparation), PREP (Preparation). 21667-62-9 belongs to class nitriles-buliding-blocks, and the molecular formula is C9H6ClNO, Formula: C9H6ClNO.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Abou Elmaaty, Tarek; Elsisi, Hanan; Negm, Ilham published the artcile< Dyeing Characteristics of Polypropylene Fabric Dyed with Special Disperse Dyes Using Supercritical Carbon Dioxide>, Reference of 21667-62-9 , the main research area is polypropylene fabric dyeing disperse dye supercritical carbon dioxide.

Using disperse dyes of different colors and hues to produce a variety of shades is necessary for the industrialization of supercritical fluid dyeing of polypropylene. Eight derivatives of 3-(3-chlorophenyl)-1-phenyl-4-(diazenyl derivatives)-1H-pyrazol-5-amine dye were synthesized explicitly for use in supercritical carbon dioxide medium. Polypropylene dyeing was studied in supercritical carbon dioxide under varying conditions: Dyeing temperatures ranged from 100°C to 120°C, dying times ranged from 1 h to 2 h, concentrations ranged from 2% owf (on the weight of fabric) to 4%, and pressures ranged from 15 to 25 MPa. Significant improvement of the colorfastness to washing and rubbing was observed Raman spectroscopy was performed and showed conclusively that the dye was absorbed within all layers of polypropylene. This study achieved the elimination of water and its costly processing in the dyeing of synthetic fabrics.

Fibers and Polymers published new progress about Colorfastness. 21667-62-9 belongs to class nitriles-buliding-blocks, and the molecular formula is C9H6ClNO, Reference of 21667-62-9 .

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Glover, Christian; Merritt, Eleanor A.; Bagley, Mark C. published the artcile< Synthesis of saramycetic acid>, Electric Literature of 6136-93-2, the main research area is saramycetic acid preparation degradation product thiopeptide antibiotic cyclothiazomycin.

The first reported synthesis of saramycetic acid [2′-acetyl-[2,4′-bithiazole]-4-carboxylic acid], a degradation product of the complex thiopeptide antibiotic cyclothiazomycin, is achieved in nine steps and 11% overall yield from diethoxyacetonitrile by a strategy which incorporates two Hantzsch thiazole syntheses using thioamides prepared from the corresponding nitriles without the use of gaseous H2S. The synthetic material was transformed to Me saramycetate, which had spectroscopic properties in excellent agreement with the literature data.

Tetrahedron Letters published new progress about 6136-93-2. 6136-93-2 belongs to class nitriles-buliding-blocks, and the molecular formula is C6H11NO2, Electric Literature of 6136-93-2.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Lai, Nang Duy; Nguyen, Thu Trang; Nguyen, Nhu Ngan Ha; Retailleau, Pascal; Mac, Dinh Hung; Nguyen, Thanh Binh published the artcile< Direct access to 2-aryl-3-cyanothiophenes by a base-catalyzed one-pot two-step three-component reaction of chalcones with benzoylacetonitriles and elemental sulfur>, Related Products of 21667-62-9, the main research area is chalcone benzoylacetonitrile diazabicyclooctane catalyst Michael addition sulfuration cyclization; diaryl cyanothiophene preparation; benzoylacetate chalcone diazabicyclooctane catalyst Michael addition sulfuration cyclization; diarylthiophene carboxylate preparation.

Herein, unexpected results on the formation of 3-cyanothiophene derivatives as the major products via a three-component reaction of chalcones, benzoylacetonitriles and elemental sulfur along with the minor products 2-aminothiophenes was reported. The ratios between these two thiophene products is 4 : 3 and could be varied by simply changing the promoting base as well as its stoichiometric ratio. The method was successfully extended to benzoylacetate in place of benzoylacetonitrile to provide thiophene-3-carboxylates.

Organic Chemistry Frontiers published new progress about Aromatic esters Role: PRP (Properties), SPN (Synthetic Preparation), PREP (Preparation). 21667-62-9 belongs to class nitriles-buliding-blocks, and the molecular formula is C9H6ClNO, Related Products of 21667-62-9.

Referemce:
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts