Category: 95-88-5

Synthesis and biological evaluation of novel chromonyl enaminones as α-glucosidase inhibitors was written by Mendieta-Moctezuma, Aaron;Rugerio-Escalona, Catalina;Villa-Ruano, Nemesio;Gutierrez, Rsuini U.;Jimenez-Montejo, Fabiola E.;Fragoso-Vazquez, M. Jonathan;Correa-Basurto, Jose;Cruz-Lopez, Maria C.;Delgado, Francisco;Tamariz, Joaquin. And the article was included in Medicinal Chemistry Research in 2019.Application of 95-88-5 The following contents are mentioned in the article:

Series of novel chromonyl enaminones 1a-e and 2a-e and 3-alkylated chromones 3a-e were synthesized and evaluated in vitro as α-glucosidase inhibitors as well as antioxidant and antifungal agents. Antifungal activity was tested on strains of Candida albicans. Compounds 2a and 2d-e showed good inhibition of the α-glucosidase enzyme (IC₅₀ = 5.5, 0.9, and 1.5 mM, resp.), their effect being better than that of 1a-e, 3a-e, and acarbose (the standard, IC₅₀ = 7.73 ± 0.9 mM). The structure-activity relationship suggests that the Ph group at the C-3 position of the chromone ring system and the 4-chlorophenyl group at the enaminone moiety (derivatives 2) increased the inhibition of α-glucosidase. Compounds 2a-e exhibited a slight antioxidant effect, and compounds 3a-e a moderate antifungal activity against C. albicans (IC₅₀ 70.5-83.1 μg/mL). Docking studies revealed that compounds 2 interact with the α-glucosidase residues of the binding pocket. Therefore, these chromone derivatives may be considered as potential α-glucosidase inhibitors, as well as antifungal agents against some Candida strains of yeast. This study involved multiple reactions and reactants, such as 4-Chlororesorcinol (cas: 95-88-5Application of 95-88-5).

4-Chlororesorcinol (cas: 95-88-5) belongs to organic chlorides. Chlorination modifies the physical properties of hydrocarbons in several ways. These compounds are typically denser than water due to the higher atomic weight of chlorine versus hydrogen. Alkyl chlorides are versatile building blocks in organic chemistry. While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available.Application of 95-88-5

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

Toward the Rational Design of Sustainable Hair Dyes Using Cheminformatics Approaches: Step 1. Database Development and Analysis was written by Williams, Tova N.;Kuenemann, Melaine A.;Van Den Driessche, George A.;Williams, Antony J.;Fourches, Denis;Freeman, Harold S.. And the article was included in ACS Sustainable Chemistry & Engineering in 2018.SDS of cas: 95-88-5 The following contents are mentioned in the article:

Herein, we report on the initial step of the design process of new hair dyes with the desired properties. The first step is dedicated to the development of the largest, publicly available database of hair dye substances (containing temporary and semipermanent hair dyes as well as permanent hair dye precursors) used in com. hair dye formulations. The database was utilized to perform a cheminformatics study assessing the computed physicochem. properties of the different hair dye substances, especially within each cluster of structurally similar dyes. The various substances could be differentiated based on their average mol. weight, hydrophobicity, topol. polar surface area, and number of hydrogen bond acceptors, with some overlap also observed In particular, we found that dyes such as C.I. Basic Orange 1 and 2 were clustered among the precursors, suggesting that their diffusion behavior is similar to that of permanent hair dye precursors. We anticipate taking advantage of this interesting knowledge in the second design phase of our investigation. As a step in that direction, we used QSAR models and noted that 65% of the substances were predicted to be mutagenic (22 with confidence thresholds >90%), whereas 79% were predicted to be skin sensitizers (37 with confidence thresholds >90%). We discuss the relevance of these preliminary calculations in view of literature-extracted exptl. data. This study involved multiple reactions and reactants, such as 4-Chlororesorcinol (cas: 95-88-5SDS of cas: 95-88-5).

4-Chlororesorcinol (cas: 95-88-5) belongs to organic chlorides. Chlorinated organic compounds are found in nearly every class of biomolecules and natural products including alkaloids, terpenes, amino acids, flavonoids, steroids, and fatty acids.While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available. Alkyl chlorides readily undergo attack by nucleophiles.SDS of cas: 95-88-5

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

Hydrothermal synthesis of FeS₂ as a highly efficient heterogeneous electro-Fenton catalyst to degrade diclofenac via molecular oxygen effects for Fe(II)/Fe(III) cycle was written by Yu, Fangke;Wang, Yi;Ma, Hongrui;Zhou, Minghua. And the article was included in Separation and Purification Technology in 2020.Quality Control of 4-Chlororesorcinol The following contents are mentioned in the article:

The authors demonstrated hydrothermally synthesized FeS₂ (pyrite) was highly efficient to catalyze H₂O₂ decomposition for diclofenac sodium (DCF) degradation over a wide pH range (3-9) by a heterogeneous electro-Fenton (EF) process., and this “Pyrite-EF” showed a better performance for the mineralization of DCF in comparison with the classic EF process. This “Pyrite-EF” displayed better performance for DCF mineralization vs. the classic EF process. The pyrite content effect on OH^– radical generation and Fe dissolution due to H₂O₂ decomposition, and applied c.d. on degradation kinetics and mineralization efficiency were examined A Microtox method toxicity assessment showed that solution toxicity was removed post-treatment. Exptl. results showed the enhanced DCF degradation rate for the Pyrite-EF process was attributed to mol. O activation induced by more surface-bound Fe²⁺ ions on FeS₂, which generated superoxide anions which accelerated the Fe²⁺/Fe³⁺ cycle on the FeS₂ surface, which favored H₂O₂ decomposition generating more OH^– radicals for DCF degradation via a heterogeneous EF-like process. Results findings provided new insights for mol. O activation induced by FeS₂ and the subsequent heterogeneous Pyrite-EF degradation of organic pollutants in wastewater. This study involved multiple reactions and reactants, such as 4-Chlororesorcinol (cas: 95-88-5Quality Control of 4-Chlororesorcinol).

4-Chlororesorcinol (cas: 95-88-5) belongs to organic chlorides. Organic chlorides are compounds containing a carbon-chlorine bond, which are widely used in the oil field as a wax dissolver. While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available. Alkyl chlorides readily undergo attack by nucleophiles.Quality Control of 4-Chlororesorcinol

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

Mechanistic Insight into the Reactivities of Aqueous-Phase Singlet Oxygen with Organic Compounds was written by Barrios, Benjamin;Mohrhardt, Benjamin;Doskey, Paul V.;Minakata, Daisuke. And the article was included in Environmental Science & Technology in 2021.Recommanded Product: 95-88-5 The following contents are mentioned in the article:

Singlet oxygen (¹O₂) is a selective reactive oxygen species that plays a key role for the fate of various organic compounds in the aquatic environment under sunlight irradiation, engineered water oxidation systems, atm. water droplets, and biomedical systems. While the initial rate-determining charge-transfer reaction mechanisms and kinetics of ¹O₂ have been studied extensively, no comprehensive studies have been performed to elucidate the reaction mechanisms with organic compounds that have various functional groups. In this study, we use d. functional theory calculations to determine elementary reaction mechanisms with a wide variety of organic compounds The theor. calculated aqueous-phase free energies of activation of single electron transfer and ¹O₂ addition reactions are compared to the exptl. determined rate constants in the literature to determine linear free-energy relationships. The theor. calculated free energies of activation for the groups of phenolates and phenols show excellent correlations with the Hammett constants that accept electron densities by through-resonance. The dominant elementary reaction mechanism is discussed for each group of compounds As a practical implication, we demonstrate the fate of environmentally relevant organic compounds induced by photochem. produced intermediate species at different pH and evaluate the impact of predicting rate constants to the half-life. This study involved multiple reactions and reactants, such as 4-Chlororesorcinol (cas: 95-88-5Recommanded Product: 95-88-5).

4-Chlororesorcinol (cas: 95-88-5) belongs to organic chlorides. An organic chloride is an organic compound containing at least one covalently bonded atom of chlorine. Their wide structural variety and divergent chemical properties lead to a broad range of names and applications. Alkyl chlorides are versatile building blocks in organic chemistry. While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available.Recommanded Product: 95-88-5

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

Analysis of mutagenic components of oxidative hair dyes with the Ames test was written by Zhou, Su;Li, Rui;Zhang, Zhichao;Gu, Minyang;Zhu, Hongyan;Fang, Jing;Ji, Zhiwen;Xu, Xiaodong;Tang, Liming. And the article was included in Human & Experimental Toxicology in 2021.Quality Control of 4-Chlororesorcinol The following contents are mentioned in the article:

Oxidative hair dyes consist of two components (I and II) that are mixed before use. Aromatic amines in component I and their reaction with hydrogen peroxide after mixing them with component II have been of primary concern. In addition, two in vitro genotoxicity assays are still required for the approval of the final products of oxidative hair dyes in China, and the substance in the oxidative hair dye that causes the high rate of pos. results in genotoxicity tests, especially the Ames test, has not been fully elucidated. In this study, we analyzed the formulation of 55 different oxidative hair dyes from 7 color series and performed Ames tests in the strain TA98 with the S9 mix (oxidative hair dyes Number 1-30) and in strain TA97a without the S9 mix (oxidative hair dyes Number 31-55). We found that toluene-2,5-diamine sulfate (2,5-diaminotoluene sulfate, DATS) in component I may be the cause of mutagenicity in TA98, and hydrogen peroxide in component II may be the cause of mutagenicity in TA97a, and their pos. concentrations were consistent with those that we calculated from Ames tests. The results suggest that the pos. results for the oxidative hair dye in the Ames test were inevitable because of the existence of DATS in component I and of hydrogen peroxide in component II. Therefore, we should carry out safety assessments on each raw material and carry out risk assessments on the final products of oxidative hair dyes instead of genotoxicity tests in China. This study involved multiple reactions and reactants, such as 4-Chlororesorcinol (cas: 95-88-5Quality Control of 4-Chlororesorcinol).

4-Chlororesorcinol (cas: 95-88-5) belongs to organic chlorides. Organochlorines stimulate the central nervous system and cause convulsions, tremor, nausea, and mental confusion. Examples are dichlorodiphenyltrichloroethane (DDT), chlordane, lindane, endosulfan, and dieldrin. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Quality Control of 4-Chlororesorcinol

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

Tricyclic coumarin sulphonate derivatives with alkaline phosphatase inhibitory effects: in vitro and docking studies was written by Iqbal, Jamshed;El-Gamal, Mohammed I.;Ejaz, Syeda Abida;Lecka, Joanna;Sevigny, Jean;Oh, Chang-Hyun. And the article was included in Journal of Enzyme Inhibition and Medicinal Chemistry in 2018.Application In Synthesis of 4-Chlororesorcinol The following contents are mentioned in the article:

Tissue-nonspecific alk. phosphatase (TNAP) is an important isoenzyme of alk. phosphatases, which plays different pivotal roles within the human body. Most importantly, it is responsible for maintaining the balanced ratio of phosphate and inorganic pyrophosphate, thus regulates the extracellular matrix calcification during bone formation and growth. The elevated level of TNAP has been linked to vascular calcification and end-stage renal diseases. Consequently, there is a need to search for highly potent and selective inhibitors of alk. phosphatases (APs) for treatment of disorders associated with the over-expression of APs. Herein, a series of tricyclic coumarin sulfonate with known antiproliferative activity, was evaluated for AP inhibition against human tissue nonspecific alk. phosphatase (h-TNAP) and human intestinal alk. phosphatase (h-IAP). The methylbenzenesulfonate derivative (IC₅₀ = 0.38 ± 0.01 μM) was found to be the most active h-TNAP inhibitor. Another 4-fluorobenzenesulfonate derivative (IC₅₀ = 0.45 ± 0.02 μM) was found as the strongest inhibitor of h-IAP. Some of the derivatives were also identified as highly selective inhibitors of APs. Detailed structure-activity relationship (SAR) was investigated to identify the functional groups responsible for the effective inhibition of AP isoenzymes. The study was also supported by the docking studies to rationalise the most possible binding site interactions of the identified inhibitors with the targeted enzymes. This study involved multiple reactions and reactants, such as 4-Chlororesorcinol (cas: 95-88-5Application In Synthesis of 4-Chlororesorcinol).

4-Chlororesorcinol (cas: 95-88-5) belongs to organic chlorides. Organic chlorides are compounds containing a carbon-chlorine bond, which are widely used in the oil field as a wax dissolver. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Application In Synthesis of 4-Chlororesorcinol

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

Lead optimization and antiproliferative activity using a new dithiocarbamates substructure was written by Sun, Haiyan;Sun, Hongshun;Liu, Mingzhen;Huang, Wei;Yang, Guangfu. And the article was included in Youji Huaxue in 2018.Recommanded Product: 4-Chlororesorcinol The following contents are mentioned in the article:

In this work, a series of dithiocarbamate derivatives bearing diverse quinazolinones I (R = bis(propan-2-yl)aminyl, pyrrolidin-1-yl, methyl(phenyl)aminyl, etc.; X = H, Cl), benzoxazinones II, and coumarin moieties III (R¹ = H, OH; R² = H, Cl; R³ = OH; R⁴ = H, Me, OH; R³R⁴ = -CH=CH-CH=CH-) was designed and synthesized via a one-pot three-component reaction. These compounds I, II, III produced good yields and functioned quickly under mild conditions, and the desired products were readily isolated. Their in vitro antitumor activities were evaluated by the Me thiazolyl tetrazolium (MTT) method against hepatoma carcinoma cells HCCLM-7, cervical carcinoma cells Hela, mammary adenocarcinoma cells MDA-MB-435S, colon carcinoma cells SW-480, laryngocarcinoma cells Hep-2, and mammary adenocarcinoma cells MCF-7. Three compounds were identified as the most promising candidates, due to their high potency and broad-spectrum antiproliferative activity (IC₅₀:3.5∼13.5μmol·L^-1). The activities of some lead compounds were more than 10-fold more potent than that of pos. control 5-fluorouracil (5-FU) (IC₅₀:8.1∼128.7μmol·L^-1). These results indicated that the dithiocarbamate (DTC) derivatives bearing fused heterocyclic moieties could be used as lead for further developing new antitumor active compounds This study involved multiple reactions and reactants, such as 4-Chlororesorcinol (cas: 95-88-5Recommanded Product: 4-Chlororesorcinol).

4-Chlororesorcinol (cas: 95-88-5) belongs to organic chlorides. Organochlorines are organic compounds having multiple chlorine atoms. They were the first synthetic pesticides that were used in agriculture. They are resistant to most microbial and chemical degradations. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Recommanded Product: 4-Chlororesorcinol

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

Enhanced Bioremediation of 4-Chlorophenol by Electrically Neutral Reactive Species Generated from Nonthermal Atmospheric-Pressure Plasma was written by Kato, Hiroyuki;Sakai, Kiyota;Itoh, Shou;Iwata, Naoyuki;Ito, Masafumi;Hori, Masaru;Kato, Masashi;Shimizu, Motoyuki. And the article was included in ACS Omega in 2022.Application of 95-88-5 The following contents are mentioned in the article:

4-Chlorophenol (4-CP) is a chlorinated aromatic compound with broad industrial applications. It is released into the environment as an industrial byproduct and is highly resistant to biodegradation Pseudomonas sp. in the environment and activated sludge are used for 4-CP bioremediation; however, the degradation of 4-CP takes a long time. Consequently, the toxicity of 4-CP is a major barrier to its bioremediation. In this study, we investigated the synergistic effect of elec. neutral reactive species on the bacterial bioremediation of 4-CP. Our results showed that the concentration of 4-CP decreased from 2.0 to 0.137 mM and that it was converted to 4-chlorocatechol (4-CC; 0.257 mM), 4-chlororesorcinol (0.157 mM), hydroquinone (0.155 mM), and trihydroxy chlorobenzene and their resp. ring-cleaved products following irradiation of neutral reactive species. These compounds were less toxic than 4-CP, except for 4-CC, which reduced the toxicity of 4-CP to Pseudomonas putida. When the neutral reactive species-treated 4-CP fraction was added to P. putida cultured in a synthetic sewage medium for 48 h, the 4-CP concentration was reduced to 0.017 mM, whereas nontreated 4-CP (2.0 mM) was hardly degraded by P. putida. These results suggest that the biodegradation of 4-CP can be efficiently improved by combining irradiation of neutral reactive species with microbial treatment. The irradiation of neutral reactive species of environmental pollutants may addnl. lead to further improvements in bioremediation processes. This study involved multiple reactions and reactants, such as 4-Chlororesorcinol (cas: 95-88-5Application of 95-88-5).

4-Chlororesorcinol (cas: 95-88-5) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Application of 95-88-5

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

Polarized Helical Coumarins: [1,5] Sigmatropic Rearrangement and Excited-State Intramolecular Proton Transfer was written by Kielesinski, Lukasz;Morawski, Olaf W.;Barboza, Cristina A.;Gryko, Daniel T.. And the article was included in Journal of Organic Chemistry in 2021.Safety of 4-Chlororesorcinol The following contents are mentioned in the article:

The tandem process of phenol addition to a cyclic α,β-unsaturated ester followed by intramol. transesterification and [1,5] sigmatropic rearrangement affords a series of helical coumarins based upon a previously unknown 3-amino-7-hydroxybenzo[3,4]cyclohepta[1,2-c]chromen-6-one core. These novel polarized coumarins, possessing a β-ketoester moiety, have been employed to synthesize more rigid and helical coumarin-pyrazolones, which display green fluorescence. The enhanced emission of coumarin-pyrazolones in polar solvents depends on the nature of the S₁ state. The coumarin-pyrazolones are predicted to have two vertical states close in energy: a weakly absorbing S₁ (¹LE) followed by a bright S₂ state (¹CT). In polar solvents, the ¹CT can be stabilized below the ¹LE and may become the fluorescent state. Solvatochromism of the fluorescence spectra confirms this theor. prediction. The presence of an N-H···O=C intramol. hydrogen bond in these coumarin-pyrazolone hybrids facilitates excited-state intramol. proton transfer (ESIPT). This process leads to a barrierless conical intersection with the ground electronic state and opens a radiationless deactivation channel effectively competing with fluorescence. Solvent stabilization of the CT state increases the barrier for ESIPT and decreases the efficiency of the nonradiative channel. This results in the observed correlation between solvatochromism and an increase of fluorescence intensity in polar solvents. This study involved multiple reactions and reactants, such as 4-Chlororesorcinol (cas: 95-88-5Safety of 4-Chlororesorcinol).

4-Chlororesorcinol (cas: 95-88-5) belongs to organic chlorides. Chlorination modifies the physical properties of hydrocarbons in several ways. These compounds are typically denser than water due to the higher atomic weight of chlorine versus hydrogen. Alkyl chlorides are versatile building blocks in organic chemistry. While alkyl bromides and iodides are more reactive, alkyl chlorides tend to be less expensive and more readily available.Safety of 4-Chlororesorcinol

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

Quantitative structure-activity relationship models for predicting singlet oxygen reaction rate constants of dissociating organic compounds was written by Li, Tiantian;Huang, Yu;Wei, Gaoliang;Zhang, Ya-nan;Zhao, Yuanhui;Crittenden, John C.;Li, Chao. And the article was included in Science of the Total Environment in 2020.Computed Properties of C6H5ClO2 The following contents are mentioned in the article:

As singlet oxygen (¹O₂) is ubiquitous in the environment, ¹O₂-involved oxidation may play an important role in the transformation and fate of organic pollutants. Accordingly, the reaction rate constants (k_1O2) of organic compounds with ¹O₂ are important to determine the environmental fate and persistence assessment of organic pollutants. However, currently there are limited k_1O2 data available, especially for organic chems. with different charged (deprotonated/protonated) forms. Herein three quant. structure-activity relationship (QSAR) models (one comprehensive model and two models for neutral and deprotonated mols.) were created for predicting aqueous k_1O2 values for diversely dissociating mols. The models include larger datasets (180 chems.) and have wider applicability domain than previous ones. Mol. structural characteristics (only half-wave potential is present in both models) determining the ¹O₂ reaction rate of neutral and deprotonated mols. vary greatly. The comparison results of predicting k_1O2 values of organic compounds at certain pH conditions show that the combination of the QSAR models for neutral and deprotonated mols. has advantages over the comprehensive QSAR model. This work is the first study to predict k_1O2 for a wide variety of neutral and deprotonated mols. and provides an important tool for assessing the fate of organic pollutants in aquatic environments. This study involved multiple reactions and reactants, such as 4-Chlororesorcinol (cas: 95-88-5Computed Properties of C6H5ClO2).

4-Chlororesorcinol (cas: 95-88-5) belongs to organic chlorides. Organochlorines are organic compounds having multiple chlorine atoms. They were the first synthetic pesticides that were used in agriculture. They are resistant to most microbial and chemical degradations. The haloform reaction, using chlorine and sodium hydroxide, is also able to generate alkyl halides from methyl ketones, and related compounds. Chloroform was formerly produced thus.Computed Properties of C6H5ClO2

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