Category: 38939-88-7

On December 31, 2002, Costantino, Luca; Ferrari, Anna Maria; Gamberini, Maria Cristina; Rastelli, Giulio published an article.Formula: C7H6ClNO2 The title of the article was Nitrophenyl Derivatives as Aldose Reductase Inhibitors. And the article contained the following:

Nitrophenyl derivatives were recently discovered as a new class of ALR2 inhibitors by means of docking and database screening of the National Cancer Institute database of organic mols. The nitro group was predicted to bind to the Tyr48 and His110 active site residues of the enzyme, the site where acidic ALR2 inhibitors such as carboxylic acids bind in their anionic form. Given the novelty of these compounds, we decided to expand their structure-activity relationships by synthesizing and testing a series of derivatives and the corresponding compounds having a carboxylic group instead of the nitro moiety; the results obtained were rationalized by means of docking and mol. dynamics simulations. On the whole there is an agreement between inhibitory data and the results of mol. modeling experiments, supporting the hypothesized binding mode of these compounds The experimental process involved the reaction of 2-Chloro-4-methyl-1-nitrobenzene(cas: 38939-88-7).Formula: C7H6ClNO2

The Article related to aldose reductase inhibitor nitrophenyl derivative preparation, Pharmacology: Structure-Activity and other aspects.Formula: C7H6ClNO2

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

On March 15, 2013, Yu, Binxun; Huang, Zheng; Zhang, Min; Dillard, Darren R.; Ji, Haitao published an article.Safety of 2-Chloro-4-methyl-1-nitrobenzene The title of the article was Rational Design of Small-Molecule Inhibitors for β-Catenin/T-Cell Factor Protein-Protein Interactions by Bioisostere Replacement. And the article contained the following:

A new hot spot-based design strategy using bioisostere replacement is reported to rationally design nonpeptidic small-mol. inhibitors for protein-protein interactions. This method is applied to design new potent inhibitors for β-catenin/T-cell factor (Tcf) interactions. Three hot spot regions of Tcf for binding to β-catenin were quant. evaluated; the key binding elements around K435 and K508 of β-catenin were derived; a bioisostere library was used to generate new fragments that can match the proposed critical binding elements. The most potent inhibitor, with a mol. weight of 230, has a Kd of 0.531 μM for binding to β-catenin and a Ki of 3.14 μM to completely disrupt β-catenin/Tcf interactions. The binding mode of the designed inhibitors was validated by the site-directed mutagenesis and structure-activity relationship (SAR) studies. This study provides a new approach to design new small-mol. inhibitors that bind to β-catenin and effectively disrupt β-catenin/Tcf interactions specific for canonical Wnt signaling. The experimental process involved the reaction of 2-Chloro-4-methyl-1-nitrobenzene(cas: 38939-88-7).Safety of 2-Chloro-4-methyl-1-nitrobenzene

The Article related to beta catenin tcf protein interaction bioisostere structure activity preparation, Pharmacology: Structure-Activity and other aspects.Safety of 2-Chloro-4-methyl-1-nitrobenzene

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

On September 11, 2014, Beesu, Mallesh; Malladi, Subbalakshmi S.; Fox, Lauren M.; Jones, Cassandra D.; Dixit, Anshuman; David, Sunil A. published an article.Quality Control of 2-Chloro-4-methyl-1-nitrobenzene The title of the article was Human Toll-Like Receptor 8-Selective Agonistic Activities in 1-Alkyl-1H-benzimidazol-2-amines. And the article contained the following:

Toll-like receptor (TLR)-8 agonists strongly induce the production of T helper 1-polarizing cytokines and may therefore serve as promising candidate vaccine adjuvants, especially for the very young and the elderly. Earlier structure-based ligand design led to the identification of 3-pentyl-quinoline-2-amine as a novel, human TLR8-specific agonist. Comprehensive structure-activity relationships in ring-contracted 1-alkyl-1H-benzimidazol-2-amines were undertaken, and the best-in-class compound, 4-methyl-1-pentyl-1H-benzo[d]imidazol-2-amine, was found to be a pure TLR8 agonist, evoking strong proinflammatory cytokine and Type II interferon responses in human PBMCs, with no attendant CD69 upregulation in natural lymphocytic subsets. The 1-alkyl-1H-benzimidazol-2-amines represent a novel, alternate chemotype with pure TLR8-agonistic activities and will likely prove useful not only in understanding TLR8 signaling but also perhaps as a candidate vaccine adjuvant. The experimental process involved the reaction of 2-Chloro-4-methyl-1-nitrobenzene(cas: 38939-88-7).Quality Control of 2-Chloro-4-methyl-1-nitrobenzene

The Article related to alkyl benzimidazol amine derivative preparation toll receptor 8 adjuvant, Pharmacology: Structure-Activity and other aspects.Quality Control of 2-Chloro-4-methyl-1-nitrobenzene

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

On October 31, 1983, Naganuma, Masayuki; Ohtsu, Yutaka; Katsumura, Yoshio; Matsuoka, Masahiro; Morikawa, Yoshihiro; Tanaka, Muneo; Mitsui, Takeo published an article.Category: chlorides-buliding-blocks The title of the article was Analysis of subsidiary colors in Red Number 204 and its purification. Development of non-allergenic Red Number 204. And the article contained the following:

Red Number 204 (Lake Red CBA) [5160-02-1], used for make-up products including lipstick, was analyzed for its organic impurities. These impurities were isolated by high-performance liquid chromatog. and their structural formulas were confirmed by various anal. methods. Many kinds of aromatic azo compounds (subsidiary colors) were found. The subsidiary colors were 11 kinds including Sudan 1. These subsidiary colors and the related compounds were synthesized for use as the standard samples. The subsidiary colors in Lake Red CBA showed pos. results with the modified guinea pig maximization test indicating that each of them was a contact sensitizer, while Lake Red CBA itself was not. Lake Red CBA synthesized with C acid  [88-53-9] from which aromatic amines were removed contained no subsidiary color. When Lake Red CBA was synthesized with the purified C acid to which 3 types of the typical aromatic amines were added in fixed quantity, the corresponding aromatic azo compounds were produced in proportion to the added amounts of aromatic amines. The preparation of Sudan III, Orange II, Quinoline Yellow WS, Quinizarin Green SS, etc., free from contact sensitive impurities, for use in cosmetic products is discussed. The experimental process involved the reaction of 2-Chloro-4-methyl-1-nitrobenzene(cas: 38939-88-7).Category: chlorides-buliding-blocks

The Article related to allergy red 204 cosmetic, sensitizer lake red cba, Essential Oils and Cosmetics: General and other aspects.Category: chlorides-buliding-blocks

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Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

On September 30, 2008, Wang, Qiong; Wang, Fang; Kou, Ying-wei; Chen, Qiang published an article.Category: chlorides-buliding-blocks The title of the article was QSAR model of EC50 of photobacterium phosphoreum for benzene derivatives using GFA. And the article contained the following:

MS Modeling 4.0 from Accelrys Company was used to calculate diverse mol. descriptors of 100 data, which are EC50 of photobacterium phosphoreum for benzene derivatives QSAR predictive models were built by GFA method using selected descriptors. Comparing the top five models, results indicated that they were almost common, with equation 1 as the best predictive model. The experimental process involved the reaction of 2-Chloro-4-methyl-1-nitrobenzene(cas: 38939-88-7).Category: chlorides-buliding-blocks

The Article related to photobacterium benzene derivative toxicity qsar gfa, Toxicology: Methods (Including Analysis) and other aspects.Category: chlorides-buliding-blocks

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Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

Ding, Shunmin; Cheng, Dan; Xiao, Weiming; Ma, Xiaohua; Zeng, Rong; Liu, Senqun; Liang, Sanqi; Chen, Chao; Song, Wei-Guo published an article in , the title of the article was Nickel Nanoparticles Encapsulated in Carbon Nanotubes as an Efficient and Robust Catalyst for Hydrogenation of Nitroarenes.Reference of 2-Chloro-4-methyl-1-nitrobenzene And the article contains the following content:

Catalytic hydrogenation of nitroarenes is an efficient and commonly used route for preparing aromatic amines. The cost-effective metallic Ni catalyst prefers to be used for its superior hydrogenation activity, but they generally are not stable enough and usually show poor reusability. In this work, carbon nanotube encapsulating metallic Ni catalysts were prepared by simple ball milling and calcining the mixture of poss-octaphenyl and nickel (II) acetate tetrahydrate. The as-prepared metallic nickel encapsulated catalyst Ni@CNT-800 exhibited excellent stability in the hydrogenation reaction, no any activity decrease was observed after ten runs whether at high conversion or low conversion. The experimental process involved the reaction of 2-Chloro-4-methyl-1-nitrobenzene(cas: 38939-88-7).Reference of 2-Chloro-4-methyl-1-nitrobenzene

The Article related to nickel carbon nanotube hydrogenation activation energy stability, Placeholder for records without volume info and other aspects.Reference of 2-Chloro-4-methyl-1-nitrobenzene

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

On January 28, 2022, Zhang, Yong; Lai, Guowei; Nie, Longjun; Lu, Dongliang; Fan, Xiaolin published a patent.Application In Synthesis of 2-Chloro-4-methyl-1-nitrobenzene The title of the patent was Difluorobenzyl reagent, its preparation method and application. And the patent contained the following:

The difluorobenzyl reagent has chem. structural formula I or II shown in claim 1, wherein R is R1 substituted Ph, etc.; R1 is H, etc.; Ar is R2 substituted 4-nitrobenzyl, etc.; R2 is H, etc. The difluorobenzyl reagent is 2-(2,4-dinitrophenyl)-2,2-difluoro-1-phenylethanone, etc. The preparation method includes performing first nucleophilic addition of 2,4-dinitrotoluene and aldehyde under condition of first catalyst (1,8-diazabicyclo[5.4.0]undec-7-ene, etc.) to obtain first nucleophilic structure, reacting with first oxidant (2-iodoxybenzoic acid, etc.) to obtain first oxidation structure, mixing with first selective fluorine reagent (1-chloromethyl-4-fluoro-1,4-diazabicyclo[2,2,2]octane bis(tetrafluoroborate) salt) and first additive (potassium phosphate, etc.), and performing first fluorination to obtain compound I. The preparation method further includes performing second nucleophilic addition reaction of nitro-substituted toluene and benzaldehyde under condition of second additive (1,8-diazabicyclo[5.4.0]undec-7-ene, etc.) to obtain second nucleophilic structure, reacting with second oxidant (2-iodoxybenzoic acid, etc.) to obtain second oxidation structure, mixing with second selective fluorine reagent (1-chloromethyl-4-fluoro-1,4-diazabicyclo[2,2,2]octane bis(tetrafluoroborate) salt) and third additive (potassium phosphate, etc.), and performing second fluorination to obtain compound II. The invention has potential medicinal value. The experimental process involved the reaction of 2-Chloro-4-methyl-1-nitrobenzene(cas: 38939-88-7).Application In Synthesis of 2-Chloro-4-methyl-1-nitrobenzene

The Article related to difluorobenzyl preparation application, Aliphatic Compounds: Nitro and Nitroso Compounds and other aspects.Application In Synthesis of 2-Chloro-4-methyl-1-nitrobenzene

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Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

On December 31, 1992, Boeren, S.; Tyrakowska, B.; Vervoort, J.; De Hoffman, E.; Teunis, K.; Van Veldhuizen, A.; Rietjens, I. M. C. M. published an article.Related Products of 38939-88-7 The title of the article was Rat liver microsomal metabolism of 2-halogenated 4-methylanilines. And the article contained the following:

Rat liver microsomal metabolism of 2-fluoro-, 2-chloro-, and 2-bromo-4-methylaniline was investigated using HPLC. Metabolites identified include products from side-chain C-hydroxylation (benzyl alcs. and benzaldehydes) and N-hydroxylation (hydroxylamines and nitroso derivatives). Aromatic ring hydroxylation was not a major reaction pathway. A new type of microsomal metabolite was detected which was identified as a secondary amine, i.e. a halogenated N-(4-aminobenzyl)-4-methylaniline. In addition to these products azoxy, azo and hydrazo derivatives were formed. Benzyl alcs. and halogenated N-(4-aminobenzyl)-4-methylanilines were the major microsomal metabolites for all 3 2-halogenated 4-methylanilines. Quantification of the metabolite patterns demonstrated an influence of the type of halogen substituent on the rate of microsomal metabolism The rate of side-chain C-hydroxylation increases in the order 2-fluoro-4-methylaniline < 2-chloro-4-methylaniline < 2-bromo-4-methylaniline. The rate of N-hydroxylation increases from 2-bromo-4-methylaniline < 2-fluoro-4-methylaniline < 2-chloro-4-methylaniline. That 2-chloro-4-methylaniline is N-hydroxylated to a larger extent is in accordance with its greater mutagenicity, twice that of 2-bromo-4-methylaniline. The experimental process involved the reaction of 2-Chloro-4-methyl-1-nitrobenzene(cas: 38939-88-7).Related Products of 38939-88-7

The Article related to liver microsome halogenated methylaniline metabolism, Toxicology: Carcinogens, Mutagens, and Teratogens and other aspects.Related Products of 38939-88-7

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Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics

On June 30, 1993, Tyrakowska, Bozena; Boeren, Sjef; Geurtsen, Bart; Rietjens, Ivonne M. C. M. published an article.HPLC of Formula: 38939-88-7 The title of the article was Qualitative and quantitative influences of ortho chlorine substituents on the microsomal metabolism of 4-toluidines. And the article contained the following:

The influence of ortho chlorine substituents on 4-toluidine (I) rat liver microsomal metabolism was investigated with 4-toluidine, 2-chloro-4-toluidine, and 2,6-dichloro-4-toluidine as substrates. Microsomal metabolic products were identified and quantified by HPLC, chem. assays, and synthesized reference compounds Metabolites identified include products from aromatic ring hydroxylation, side-chain C-hydroxylation (benzyl alcs. and benzaldehydes), N-hydroxylation (hydroxylamines, nitrosotoluenes, azoxy, azo, and hydrazo derivatives), and two new types of microsomal metabolites: secondary amines [i.e. (halogenated) N-(4′-aminobenzyl)-4-toluidines] and an imine [i.e. N-(4′-amino-3′,5′-dichlorobenzylidene)-2,6-dichloro-4-toluidine]. The secondary amine appeared to be a major microsomal metabolite for all three 4-toluidines studied. Quantification of the metabolite patterns demonstrated several influences of the chlorine substituents on metabolism of the 4-toluidine derivatives The total conversion increased significantly in the order: 4-toluidine < 2-chloro-4-toluidine < 2,6-dichloro-4-toluidine, especially because of a marked increase in microsomal side-chain C-hydroxylation with increasing number of ortho chlorine substituents. The rate of N-hydroxylation varied much less. Aromatic ring hydroxylation was observed to a significant extent only for nonchlorinated 4-toluidine. Addnl. data from microsomal binding studies and MO calculations provided insight in possible mechanisms underlying the observed changes in metabolic profiles with increasing number of chlorine substituents at an ortho position with respect to the amine group. The experimental process involved the reaction of 2-Chloro-4-methyl-1-nitrobenzene(cas: 38939-88-7).HPLC of Formula: 38939-88-7

The Article related to chlorinate toluidine metabolism liver, Toxicology: Chemicals (Household, Industrial, General) and other aspects.HPLC of Formula: 38939-88-7

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

On February 15, 2019, Bhatthula, Bharath Kumar Goud; Kanchani, Janardhan Reddy; Arava, Veera Reddy; Subha, M. C. S. published an article.Reference of 2-Chloro-4-methyl-1-nitrobenzene The title of the article was Total synthesis of carbazole alkaloids. And the article contained the following:

A Suzuki-Miyaura cross coupling, followed by triphenylphosphine mediated Cadogan reductive cyclization sequence provided efficient access to a series of carbazole alkaloids. In the present work, this approach was applied to the total synthesis of mukonine, clauszoline K, koenoline, murrayanine, murrayafoline A, mukoeic acid, glycoborine, glycozolicine, mukolidine, mukoline, glycozoline, 3-methoxy-9H-carbazole-1-carboxylic acid Me ester, (3-methoxy-9H-carbazol-1-yl)-methanol, 3-methoxy-9H-carbazole-1-carbaldehyde, 3-methoxy-9H-carbazole-1-carboxylic acid, 2-methyl-9H-carbazole and nonsteroidal anti-inflammatory drug (NSAID) carprofen and its derivatives The experimental process involved the reaction of 2-Chloro-4-methyl-1-nitrobenzene(cas: 38939-88-7).Reference of 2-Chloro-4-methyl-1-nitrobenzene

The Article related to carbazole alkaloid total synthesis suzuki miyaura cross coupling, cadogan reductive cyclization total synthesis carbazole alkaloid, Alkaloids: Alkaloids Containing One Nitrogen Atom In A Ring and other aspects.Reference of 2-Chloro-4-methyl-1-nitrobenzene

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