Tag: 200-300

On July 15, 2017, Fang, Zhen; Wang, Tian-qi; Li, Hui; Zhang, Guo; Wu, Xiao-ai; Yang, Li; Peng, Yu-lan; Zou, Jun; Li, Lin-li; Xiang, Rong; Yang, Sheng-yong published an article.Application of 99-60-5 The title of the article was Discovery of pyrazolo[1,5-a]pyrimidine-3-carbonitrile derivatives as a new class of histone lysine demethylase 4D (KDM4D) inhibitors. And the article contained the following:

Herein the authors report the discovery of a series of new small mol. inhibitors of histone lysine demethylase 4D (KDM4D). Mol. docking was first performed to screen for new KDM4D inhibitors from various chem. databases. Two hit compounds were retrieved. Further structural optimization and structure-activity relation (SAR) anal. were carried out to the more selective one, compound 5-hydroxy-9-nitropyrazolo[1,5-a]quinazoline-3-carbonitrile, which led to the discovery of several new KDM4D inhibitors. Among them, compound 5-hydroxy-2-methylpyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbonitrile is the most potent one with an IC50 value of 0.41 ± 0.03 μM against KDM4D. Overall, compound 5-hydroxy-2-methylpyrazolo[1,5-a]pyrido[3,2-e]pyrimidine-3-carbonitrile could be taken as a good lead compound for further studies. The experimental process involved the reaction of 2-Chloro-4-nitrobenzoic acid(cas: 99-60-5).Application of 99-60-5

The Article related to pyrazolopyrimidinecarbonitrile derivative preparation histone lysine demethylase 4d inhibitor, epigenetics, histone lysine demethylase, kdm4d, small molecule inhibitor, structure-activity relationship and other aspects.Application of 99-60-5

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

On August 1, 2020, Lemmerer, Andreas published an article.SDS of cas: 99-60-5 The title of the article was The 2-Chloro-4-nitrobenzoic acid as a coformer with pharmaceutical cocrystals and molecular salts. And the article contained the following:

A series of five binary complexes, i.e. three cocrystals and two mol. salts, using 2-chloro-4-nitrobenzoic acid as a coformer have been produced with five commonly available compounds, some of pharmaceutical relevance, namely, 2-chloro-4-nitrobenzoic acid-isonicotinamide (1/1), C7H4ClNO4·C6H6N2O, 2-chloro-4-nitrobenzoic acid-3,3-diethylpyridine-2,4(1H,3H)-dione (2/1), 2C7H4ClNO4·C9H13NO2, 2-chloro-4-nitrobenzoic acid-pyrrolidin-2-one (1/1), C7H4ClNO4·C4H7NO, 2-carboxypiperidinium 2-chloro-4-nitrobenzoate, C6H12NO2-·C7H3ClNO4-, and (2-hydroxyethyl)ammonium 2-chloro-4-nitrobenzoate, C2H8NO+·C7H3ClNO4-. The coformer falls under the classification of a generally regarded as safe compound All five complexes make use of a number of different heteromeric hydrogen-bonded interactions. Intermol. potentials were evaluated using the CSD-Materials module. The experimental process involved the reaction of 2-Chloro-4-nitrobenzoic acid(cas: 99-60-5).SDS of cas: 99-60-5

The Article related to chloro nitrobenzoic acid coformer pharmaceutical cocrystal mol salt, uni force fields, chloronitrobenzoic acid, cocrystal, crystal structure, isonicotinamide, molecular salt, piperidinium, pyrrolidine and other aspects.SDS of cas: 99-60-5

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Dowman, Luke J.; Agten, Stijn M.; Ripoll-Rozada, Jorge; Calisto, Barbara M.; Pereira, Pedro Jose Barbosa; Payne, Richard J. published an article in 2021, the title of the article was Synthesis and evaluation of peptidic thrombin inhibitors bearing acid-stable sulfotyrosine analogs.Formula: C6H10Cl3NO And the article contains the following content:

Tyrosine sulfation is an important post-translational modification of peptides and proteins which underpins and modulates many protein-protein interactions. In order to overcome the inherent instability of the native modification, we report the synthesis of two sulfonate analogs and their incorporation into two thrombin-inhibiting sulfopeptides. The effective mimicry of these sulfonate analogs for native sulfotyrosine was validated in the context of their thrombin inhibitory activity and binding mode, as determined by X-ray crystallog. The experimental process involved the reaction of tert-Butyl trichloroacetimidate(cas: 98946-18-0).Formula: C6H10Cl3NO

The Article related to peptide thrombin inhibitor synthesis sulfotyrosine, sulfonated aryl iodide negishi cross coupling iodoalanine, solid phase peptide synthesis microwave, thrombin crystal structure inhibitor mol docking and other aspects.Formula: C6H10Cl3NO

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Li, Minghao; Hoover, Jessica M. published an article in 2016, the title of the article was Aerobic copper-catalyzed decarboxylative thiolation.HPLC of Formula: 99-60-5 And the article contains the following content:

Copper-catalyzed decarboxylative thiolation using mol. oxygen as the sole oxidant was developed. A variety of aromatic carboxylic acids including 2-nitrobenzoic acids, pentafluorobenzoic acid and several heteroaromatic carboxylic acids undergo efficient thiolation to furnish the aryl sulfides in moderate to excellent yields. The experimental process involved the reaction of 2-Chloro-4-nitrobenzoic acid(cas: 99-60-5).HPLC of Formula: 99-60-5

The Article related to aryl sulfide selenide synthesis solvent effect, aromatic carboxylic acid decarboxylative thiolation selenation coupling copper catalyst, nitrobenzoic pentafluorobenzoic heteroaromatic carboxylic acid and other aspects.HPLC of Formula: 99-60-5

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

On January 17, 2022, Ouyang, Yao; Xu, Xiu-Hua; Qing, Feng-Ling published an article.Recommanded Product: 80-07-9 The title of the article was Electrochemical Trifluoromethoxylation of (Hetero)aromatics with a Trifluoromethyl Source and Oxygen. And the article contained the following:

A conceptually new and operationally simple protocol for the direct C-H trifluoromethoxylation of (hetero)aromatics by the combination of the readily available trifluoromethylating reagent and oxygen under electrochem. reaction conditions was discussed. This reaction proceeded through the initial generation of CF3 radical followed by conversion to CF3O radical, addition to (hetero)aromatics and rearomatization. The utility of this electrochem. trifluoromethoxylation was illustrated by the direct incorporation of CF3O group into a variety of (hetero)aromatics as well as bio-relevant mols. The experimental process involved the reaction of 4,4′-Sulfonylbis(chlorobenzene)(cas: 80-07-9).Recommanded Product: 80-07-9

The Article related to trifluoromethoxyarene preparation, arene trifluoromethyl pyridylsulfone electrochem trifluoromethoxylation, electrochemistry, oxygen, radical reactions, trifluoromethoxylation, trifluoromethyl groups and other aspects.Recommanded Product: 80-07-9

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Fujiwara, Shinichi; Cadou, Romain; Yamaoka, Yousuke; Takasu, Kiyosei; Yamada, Ken-ichi published an article in 2015, the title of the article was Hydrostannylation-cross-coupling strategy for the stereoselective synthesis of alkylidenemalonates and related α,β-unsaturated esters.SDS of cas: 14602-86-9 And the article contains the following content:

A method for the stereoselective synthesis of alkylidenemalonates and related α,β-unsaturated esters by hydrostannylation-cross coupling process was developed. Regio- and diastereoselective Pd-catalyzed hydrostannylation of propiolate derivatives provided α-alkoxycarbonyl (E)- and (Z)-vinylstannanes which were then converted into resp. alkylidenemalonates by the Stille coupling reaction with corresponding chloroformates. A one-pot process was also realizable for the Pd-catalyzed reactions. The experimental process involved the reaction of (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl carbonochloridate(cas: 14602-86-9).SDS of cas: 14602-86-9

The Article related to alkylidenemalonate alpha beta unsaturated ester preparation, vinyl stannane preparation chloroformate stille coupling, propiolate tributylstannane hydrostannylation regioselective diastereoselective and other aspects.SDS of cas: 14602-86-9

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Zhao, Jing; Jin, Yan; Shin, Yujin; Jeong, Kyung Min; Lee, Jeongmi published an article in 2016, the title of the article was Indirect enantioseparation of fluoxetine in mouse serum by derivatization with 1R-(-)-menthyl chloroformate followed by ultra high performance liquid chromatography and quadrupole time-of-flight mass spectrometry.Safety of (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl carbonochloridate And the article contains the following content:

Here we describe a simple and sensitive anal. method for the enantioselective quantification of fluoxetine in mouse serum using ultra high performance liquid chromatog. with quadrupole time-of-flight mass spectrometry. The sample preparation method included a simple deproteinization with acetonitrile in 50 μL of serum, followed by derivatization of the extracts in 50 μL of 2 mM 1R-(-)-menthyl chloroformate at 45 C for 55 min. These conditions were statistically optimized through response surface methodol. using a central composite design. Under the optimized conditions, neither racemization nor kinetic resolution occurred. The derivatized diastereomers were readily resolved on a conventional sub-2 μm C18 column under a simple gradient elution of aqueous methanol containing 0.1% formic acid. The established method was validated and found to be linear, precise, and accurate over the concentration range of 5.0-1000.0 ng/mL for both R and S enantiomers (r2 > 0.993). Stability tests of the prepared samples at three different concentration levels showed that the R- and S-fluoxetine derivatives were relatively stable for 48 h. No significant matrix effects were observed Last, the developed method was successfully used for enantiomeric anal. of real serum samples collected at a number of time points from mice administered with racemic fluoxetine. The experimental process involved the reaction of (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl carbonochloridate(cas: 14602-86-9).Safety of (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl carbonochloridate

The Article related to fluoxetine determination enantioseparation serum menthyl chloroformate uplc qtof ms, chiral derivatization reagent, enantioseparation, fluoxetine, menthyl chloroformate, response surface methodology and other aspects.Safety of (1R,2S,5R)-2-Isopropyl-5-methylcyclohexyl carbonochloridate

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

On January 31, 2021, Navidpour, Latifeh; Shabani, Shabnam; Heidari, Alireza; Bashiri, Manouchehr; Ebrahim-Habibi, Azadeh; Shahhosseini, Soraya; Shafaroodi, Hamed; Abbas Tabatabai, Sayyed; Toolabi, Mahsa published an article.Recommanded Product: 99-60-5 The title of the article was 5-[Aryloxypyridyl (or nitrophenyl)]-4H-1,2,4-triazoles as novel flexible benzodiazepine analogues: Synthesis, receptor binding affinity and lipophilicity-dependent anti-seizure onset of action. And the article contained the following:

A new series of 5-(2-aryloxy-4-nitrophenyl)-4H-1,2,4-triazoles and 5-(2-aryloxy-3-pyridyl)-4H-1,2,4-triazoles, possessing C-3 thio or alkylthio substituents, was synthesized and evaluated for their benzodiazepine receptor affinity and anti-seizure activity. These analogs revealed similar to significantly superior affinity to GABAA/benzodiazepine receptor complex (IC50 values of 0.04-4.1 nM), relative to diazepam as the reference drug (IC50 value of 2.4 nM). To determine the onset of anti-seizure activity, the time-dependent effectiveness of i.p. administration of compounds on pentylenetetrazole induced seizure threshold was studied and a very good relationship was observed between the lipophilicity (cLogP) and onset of action of studied analogs (r2 = 0.964). The min. ED of the compounds, determined at the time the analogs showed their highest activity, was demonstrated to be 0.025-0.1 mg/kg, relative to diazepam (0.025 mg/kg). The experimental process involved the reaction of 2-Chloro-4-nitrobenzoic acid(cas: 99-60-5).Recommanded Product: 99-60-5

The Article related to triazol flexible benzodiazepine derivative preparation lipophilicity antiseizure activity, 1,2,4-triazole, flexible benzodiazepines, gabaa/benzodiazepine receptor complex, onset of action, ptz induced seizure threshold and other aspects.Recommanded Product: 99-60-5

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

On November 2, 2018, Patel, Nitinchandra D.; Sieber, Joshua D.; Tcyrulnikov, Sergei; Simmons, Bryan J.; Rivalti, Daniel; Duvvuri, Krishnaja; Zhang, Yongda; Gao, Donghong A.; Fandrick, Keith R.; Haddad, Nizar; Lao, Kendricks So; Mangunuru, Hari P. R.; Biswas, Soumik; Qu, Bo; Grinberg, Nelu; Pennino, Scott; Lee, Heewon; Song, Jinhua J.; Gupton, B. Frank; Garg, Neil K.; Kozlowski, Marisa C.; Senanayake, Chris H. published an article.Formula: C6H10Cl3NO The title of the article was Computationally Assisted Mechanistic Investigation and Development of Pd-Catalyzed Asymmetric Suzuki-Miyaura and Negishi Cross-Coupling Reactions for Tetra-ortho-Substituted Biaryl Synthesis. And the article contained the following:

Metal-catalyzed cross-coupling reactions are extensively employed in both academia and industry for the synthesis of biaryl derivatives for applications to both medicine and material science. Application of these methods to prepare tetra-ortho-substituted biaryls leads to chiral atropisomeric products that introduce the opportunity to use catalyst control to develop asym. cross-coupling procedures to access these important compounds Asym. Pd-catalyzed Suzuki-Miyaura and Negishi cross-coupling reactions to form tetra-ortho-substituted biaryls were studied employing a collection of P-chiral dihydrobenzooxaphosphole (BOP) and dihydrobenzoazaphosphole (BAP) ligands. Enantioselectivities of up to 95:5 and 85:15 enantiomeric ratios were identified for the Suzuki-Miyaura and Negishi cross-coupling reactions, resp. Unique ligands for the Suzuki-Miyaura reaction vs the Negishi reaction were identified. A computational study on these Suzuki-Miyaura and Negishi cross-coupling reactions enabled an understanding in the differences between the enantiodiscriminating events between these two cross-coupling reactions. These results support that enantioselectivity in the Negishi reaction results from the reductive elimination step, whereas all steps in the Suzuki-Miyaura catalytic cycle contribute to the overall enantioselection with transmetalation and reductive elimination providing the most contribution to the observed selectivities. The experimental process involved the reaction of tert-Butyl trichloroacetimidate(cas: 98946-18-0).Formula: C6H10Cl3NO

The Article related to computationally assisted mechanistic investigation, palladium catalyst asym suzuki miyaura negishi cross coupling, tetra ortho substituted biaryl synthesis, palladium, asymmetric, catalysis, cross-coupling, phosphines and other aspects.Formula: C6H10Cl3NO

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Roesner, Stefan; Saunders, George J.; Wilkening, Ina; Jayawant, Eleanor; Geden, Joanna V.; Kerby, Paul; Dixon, Ann M.; Notman, Rebecca; Shipman, Michael published an article in 2019, the title of the article was Macrocyclization of small peptides enabled by oxetane incorporation.Product Details of 98946-18-0 And the article contains the following content:

Cyclic peptides are an important source of new drugs but are challenging to produce synthetically. We show that head-to-tail peptide macrocyclizations are greatly improved, as measured by isolated yields, reaction rates and product distribution, by substitution of one of the backbone amide C:O bonds with an oxetane ring. The cyclization precursors are easily made by standard solution- or solid-phase peptide synthesis techniques. Macrocyclizations across a range of challenging ring sizes (tetra-, penta- and hexapeptides) are enabled by incorporation of this turn-inducing element. Oxetane incorporation is shown to be superior to other established amino acid modifications such as N-methylation. The positional dependence of the modification on cyclization efficiency is mapped using a cyclic peptide of sequence LAGAY. We provide the first direct exptl. evidence that oxetane modification induces a turn in linear peptide backbones, through the observation of dNN (i, i + 2) and dαN (i, i + 2) NOEs, which offers an explanation for these improvements. For cyclic peptide, cLAGAY, a combination of NMR derived distance restraints and mol. dynamics simulations are used to show that this modification alters the backbone conformation in proximity to the oxetane, with the flexibility of the ring reduced and a new intramol. H-bond established. Finally, we incorporated an oxetane into a cyclic pentapeptide inhibitor of Aminopeptidase N, a transmembrane metalloprotease overexpressed on the surface of cancer cells. The inhibitor, cCNGRC, displayed similar IC50 values in the presence or absence of an oxetane at the glycine residue, indicating that bioactivity is fully retained upon amide C:O bond replacement. The experimental process involved the reaction of tert-Butyl trichloroacetimidate(cas: 98946-18-0).Product Details of 98946-18-0

The Article related to cyclic peptide synthesis md simulation hydrogen bond safety, oxetane peptide coupling macrocyclization solid phase synthesis cyclization kinetics, peptide cyclic oxetane aminopeptidase n inhibiting structure activity and other aspects.Product Details of 98946-18-0

Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics