Month: February 2023

Validation of the SkinEthic HCE Time-to-Toxicity test method for eye hazard classification of chemicals according to UN GHS was written by Alepee, N.;Grandidier, M. H.;Teluob, S.;Amaral, F.;Caviola, E.;De Servi, B.;Martin, S.;Meloni, M.;Nardelli, L.;Pasdelou, C.;Tagliati, V.;Viricel, A.;Adriaens, E.;Michaut, V.. And the article was included in Toxicology In Vitro in 2022.Application of 96568-04-6 This article mentions the following:

This study describes the within- and between-laboratory reproducibility (WLR and BLR) of a Time-to-Toxicity (TTT) approach for chems. based on the SkinEthic HCE tissue construct, capable to distinguish chems. that do not require classification for serious eye damage/eye irritation (No Cat.) from chems. that require classification for eye irritation (Cat. 2), and serious eye damage (Cat. 1). The WLR and BLR was assessed with three participating laboratories Each laboratory tested 40 coded chems. in three independent runs. The predictive capacity of the method was assessed on a larger set of 150 chems. (70 liquids and 80 solids) by combining the results of this study with the results of the test method developer. The WLR for the 20 liquids ranged from 85% to 95% with a BLR of 90%. For the 20 solids, a WLR and BLR of 100% was obtained. The test method developer obtained a WLR of 80% and 95%, based on 50 liquids and 48 solids tested in three independent runs, resp. Regarding the predictive capacity, the SkinEthic HCE TTT test method identified 80.8% Cat. 1, 69.2% Cat. 2, and 74.9% No Cat. correctly. An independent peer review panel concluded that based on all available data, the relevance and reliability of the SkinEthic HCE TTT has been demonstrated for discriminating the three UN GHS eye hazard categories. In the experiment, the researchers used many compounds, for example, Ethyl 3-(2,6-Dichloro-5-fluoro-3-pyridyl)-3-oxopropionate (cas: 96568-04-6Application of 96568-04-6).

Ethyl 3-(2,6-Dichloro-5-fluoro-3-pyridyl)-3-oxopropionate (cas: 96568-04-6) belongs to organic chlorides. Organic chlorides can cause corrosion in pipelines, valves and condensers, and cause catalyst poisoning. The hydrocarbon processing industry (HPI) and others are affected by damage caused by these substances. 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 96568-04-6

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

Systematic Evaluation of Sulfoxides as Catalysts in Nucleophilic Substitutions of Alcohols was written by Motsch, Sebastian;Schuetz, Christian;Huy, Peter H.. And the article was included in European Journal of Organic Chemistry in 2018.Safety of Methyl 2-chloro-2-phenylacetate This article mentions the following:

Herein, a method for the nucleophilic substitution (S_N) of benzyl alcs. yielding chloro alkanes is introduced that relies on aromatic sulfoxides as Lewis base catalysts (down to 1.5 mol-%) and benzoyl chloride (BzCl) as reagent. A systematic screening of various sulfoxides and other sulfinyl containing Lewis bases afforded (2-methoxyphenyl)methyl sulfoxide as optimal catalyst. In contrast to reported formamide catalysts, sulfoxides also enable the application of plain acetyl chloride (AcCl) as reagent. In addition, it was demonstrated that weakly electrophilic carboxylic acid chlorides like BzCl promote Pummerer rearrangement of sulfoxides already at room temperature This side-reaction also provided the explanation, why sulfoxide catalyzed S_N-reactions of alcs. do not allow the effective production of aliphatic and electron deficient chloro alkanes. Comparison experiments provided further insight into the reaction mechanism. In the experiment, the researchers used many compounds, for example, Methyl 2-chloro-2-phenylacetate (cas: 7476-66-6Safety of Methyl 2-chloro-2-phenylacetate).

Methyl 2-chloro-2-phenylacetate (cas: 7476-66-6) 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. Organochlorine compounds are lipophylic, meaning they are more soluble in fat than in water. This gives them a high tenancy to accumulate in the food chain (biomagnification).Safety of Methyl 2-chloro-2-phenylacetate

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

4-N-Hydroxy-4-[1-(sulfonyl)piperidin-4-yl]-butyramides as HDAC inhibitors was written by Rossi, Cristina;Fincham, Christopher I.;D’Andrea, Piero;Porcelloni, Marina;Ettorre, Alessandro;Mauro, Sandro;Bigioni, Mario;Binaschi, Monica;Maggi, Carlo A.;Nardelli, Federica;Parlani, Massimo;Fattori, Daniela. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2011.Reference of 63624-28-2 This article mentions the following:

A series of N-substituted 4-alkylpiperidine hydroxamic acids, corresponding to the basic structure of histone deacetylase (HDAC) inhibitors (zinc binding moiety-linker-capping group) has been previously reported by our group. Linker length and aromatic capping group connection were systematically varied to find the optimal geometric parameters. A new series of submicromolar inhibitors was thus identified, which showed antiproliferative activity on HCT-116 colon carcinoma cells. We report here the second part of the strategy used in our research group to find a new class of HDAC inhibitors, namely the SAR study for the compounds bearing a sulfonyl group on the piperidine nitrogen. In the present work, we have considered both sulfonamides and sulfonyl ureas. In the experiment, the researchers used many compounds, for example, 2,4-Dimethoxybenzene-1-sulfonyl chloride (cas: 63624-28-2Reference of 63624-28-2).

2,4-Dimethoxybenzene-1-sulfonyl chloride (cas: 63624-28-2) 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. 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.Reference of 63624-28-2

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

Kinetics of oxidation of 4-oxoacids by N-chlorosaccharin in aqueous acetic acid medium was written by Farook, N. A. Mohamed. And the article was included in Asian Journal of Chemistry in 2007.Quality Control of 2-Chlorobenzo[d]isothiazol-3(2H)-one 1,1-dioxide This article mentions the following:

Kinetics of oxidation of substituted and unsubstituted 4-oxoacids (S) by N-chlorosaccharin (NCSA) in aqueous acetic acid medium were studied. The reaction follows first-order kinetics, each in 4-oxoacids, NCSA and H⁺. The effect of changes in the electronic nature of the substrate reveals that there is a development of pos. charge in the transition state. From the kinetic results and product anal., a suitable mechanism was proposed for the reaction of NCSA with 4-oxoacids. In the experiment, the researchers used many compounds, for example, 2-Chlorobenzo[d]isothiazol-3(2H)-one 1,1-dioxide (cas: 14070-51-0Quality Control of 2-Chlorobenzo[d]isothiazol-3(2H)-one 1,1-dioxide).

2-Chlorobenzo[d]isothiazol-3(2H)-one 1,1-dioxide (cas: 14070-51-0) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. Alkyl chlorides readily react with amines to give substituted amines. Alkyl chlorides are substituted by softer halides such as the iodide in the Finkelstein reaction.Quality Control of 2-Chlorobenzo[d]isothiazol-3(2H)-one 1,1-dioxide

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

Can electrochemical oxidation techniques really decontaminate saline dyes wastewater? was written by Ramjaun, Sadiqua N.;Wang, Zhaohui;Yuan, Ruixia;Liu, Jianshe. And the article was included in Journal of Environmental Chemical Engineering in 2015.HPLC of Formula: 698-01-1 This article mentions the following:

Formation of toxic chlorinated organic byproducts is of great concern when selecting electrochem. oxidation (EO) as decontamination technol. for saline dye wastewater, but still not verified. To test the applicability of EO, methyl orange (MO) was used as a model dye for anodic contact glow discharge electrolysis (CGDE) and conventional electrolysis (CE) in the presence of chloride. The degradation kinetics and organic intermediates were analyzed. In the presence of chloride, the rates of dye degradation were significantly increased as CGDE and CE were applied. CE resulted in higher mineralization efficiency than CGDE which needs much energy input. Several refractory chlorinated aromatic and even aliphatic compounds were identified during MO degradation, as well as the other anthraquinone dye, alizarin red S (AR). Therefore, the issues of toxic chlorinated byproducts and energy cost should be preferentially evaluated prior to the selection of EO technologies. In the experiment, the researchers used many compounds, for example, 2-Chloro-N,N-dimethylaniline (cas: 698-01-1HPLC of Formula: 698-01-1).

2-Chloro-N,N-dimethylaniline (cas: 698-01-1) 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. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.HPLC of Formula: 698-01-1

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

Comparison of Different Polymer- and Silica-Supported 9-Amino-9-deoxy-epi-quinines as Recyclable Organocatalysts was written by Porta, Riccardo;Coccia, Francesca;Annunziata, Rita;Puglisi, Alessandra. And the article was included in ChemCatChem in 2015.Safety of Dichlorodi(cyclopenta-1,3-dien-1-yl)platinate(II) This article mentions the following:

9-Amino-9-deoxy-epi-quinine, properly modified by suitable linkers, was anchored on highly cross-linked polystyrene, poly(ethylene glycol), and silica. The resulting species were characterized by NMR spectroscopy and tested as supported organocatalysts in the reaction between isobutyric aldehyde and trans-尾-nitrostyrene. Polystyrene- and poly(ethylene glycol)-supported catalysts outperformed their nonsupported counterpart affording the desired product in high yield and ee (>90 % ee). Silica-supported catalysts proved to be less efficient in terms of both chem. yield and enantioselectivity. Polystyrene- and poly(ethylene glycol)-supported 9-amino-9-deoxy-epi-quinine were then used in the same reaction with different substrates, leading to the desired products in high yield and ee, as well as in three other reactions operating with different mechanism. An investigation of the recyclability of the polystyrene- and poly(ethylene glycol)-supported systems showed that these could be recovered and recycled with no loss of stereochem. activity but with a marked erosion of chem. efficiency occurring at the fifth reaction cycle. This was ascribed to chem. degradation of the alkaloid occurring during the reaction. In the experiment, the researchers used many compounds, for example, Dichlorodi(cyclopenta-1,3-dien-1-yl)platinate(II) (cas: 12083-92-0Safety of Dichlorodi(cyclopenta-1,3-dien-1-yl)platinate(II)).

Dichlorodi(cyclopenta-1,3-dien-1-yl)platinate(II) (cas: 12083-92-0) 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.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.Safety of Dichlorodi(cyclopenta-1,3-dien-1-yl)platinate(II)

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

A sulfonamide sialoside analogue for targeting Siglec-8 and -F on immune cells was written by Nycholat, Corwin M.;Duan, Shiteng;Knuplez, Eva;Worth, Charli;Elich, Mila;Yao, Anzhi;O’Sullivan, Jeremy;McBride, Ryan;Wei, Yadong;Fernandes, Steve M.;Zhu, Zhou;Schnaar, Ronald L.;Bochner, Bruce S.;Paulson, James C.. And the article was included in Journal of the American Chemical Society in 2019.Electric Literature of C7H4ClF3O2S This article mentions the following:

The Siglec family of cell surface receptors have emerged as attractive targets for cell-directed therapies due to their restricted expression on immune cells, endocytic properties, and ability to modulate receptor signaling. Human Siglec-8, for instance, has been identified as a therapeutic target for the treatment of eosinophil and mast cell disorders. A promising strategy to target Siglecs involves the use of liposomal nanoparticles with a multivalent display of Siglec ligands. A key challenge for this approach is the identification of a high affinity ligand for the target Siglec. Here, we report the development of a ligand of Siglec-8 and its closest murine functional orthologue Siglec-F that is capable of targeting liposomes to cells expressing Siglec-8 or -F. A glycan microarray library of synthetic 9-N-sulfonyl sialoside analogs was screened to identify potential lead compounds The best ligand, 9-N-(2-naphthyl-sulfonyl)-Neu5Ac伪2-3-[6-O-sulfo]-Gal尾1-4GlcNAc (6′-O-sulfo ^NSANeu5Ac) combined the lead 2-naphthyl sulfonyl C-9 substituent with the preferred sulfated scaffold. The ligand 6′-O-sulfo ^NSANeu5Ac was conjugated to lipids for display on liposomes to evaluate targeted delivery to cells. Targeted liposomes showed strong in vitro binding/uptake and selectivity to cells expressing Siglec-8 or -F and, when administered to mice, exhibit in vivo targeting to Siglec-F⁺ eosinophils. In the experiment, the researchers used many compounds, for example, 3-(Trifluoromethyl)benzene-1-sulfonyl chloride (cas: 777-44-6Electric Literature of C7H4ClF3O2S).

3-(Trifluoromethyl)benzene-1-sulfonyl chloride (cas: 777-44-6) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. Alkyl chlorides readily react with amines to give substituted amines. Alkyl chlorides are substituted by softer halides such as the iodide in the Finkelstein reaction.Electric Literature of C7H4ClF3O2S

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

Indolinyl-Thiazole Based Inhibitors of Scavenger Receptor-BI (SR-BI)-Mediated Lipid Transport was written by Dockendorff, Chris;Faloon, Patrick W.;Yu, Miao;Youngsaye, Willmen;Penman, Marsha;Nieland, Thomas J. F.;Nag, Partha P.;Lewis, Timothy A.;Pu, Jun;Bennion, Melissa;Negri, Joseph;Paterson, Conor;Lam, Garrett;Dandapani, Sivaraman;Perez, Jose R.;Munoz, Benito;Palmer, Michelle A.;Schreiber, Stuart L.;Krieger, Monty. And the article was included in ACS Medicinal Chemistry Letters in 2015.Product Details of 1711-11-1 This article mentions the following:

A potent class of indolinyl-thiazole based inhibitors of cellular lipid uptake mediated by scavenger receptor, class B, type I (SR-BI) was identified via a high-throughput screen of the National Institutes of Health Mol. Libraries Small Mol. Repository (NIH MLSMR) in an assay measuring the uptake of the fluorescent lipid DiI from HDL particles. This class of compounds is represented by ML278 (I), a potent (average IC₅₀ = 6 nM) and reversible inhibitor of lipid uptake via SR-BI. ML278 is a plasma-stable, noncytotoxic probe that exhibits moderate metabolic stability, thus displaying improved properties for in vitro and in vivo studies. Strikingly, ML278 and previously described inhibitors of lipid transport share the property of increasing the binding of HDL to SR-BI, rather than blocking it, suggesting there may be similarities in their mechanisms of action. In the experiment, the researchers used many compounds, for example, 3-Cyanobenzoyl chloride (cas: 1711-11-1Product Details of 1711-11-1).

3-Cyanobenzoyl chloride (cas: 1711-11-1) 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. Organochlorine compounds are lipophylic, meaning they are more soluble in fat than in water. This gives them a high tenancy to accumulate in the food chain (biomagnification).Product Details of 1711-11-1

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

Novel CpAg(I)-Containing Organometallic Coordination Polymers Generated from Fulvene Ligands was written by Dong, Yu-Bin;Jin, Guo-Xia;Zhao, Xia;Tang, Bo;Huang, Ru-Qi;Smith, Mark D.;Stitzer, K. E.;Zur Loye, Hans-Conrad. And the article was included in Organometallics in 2004.Reference of 1711-11-1 This article mentions the following:

Two new fulvene ligands, L1 and L2, have been synthesized by an aroylation reaction of the cyclopentadienyl anion. The coordination chem. of L1 and L2 was investigated. Two novel CpAg(I)-containing polymeric compounds, 1 ([Ag₄(L1)₂(渭-H₂O)₂(SO₃CF₃)₄]路(渭-bis-畏¹-C₆H₆))路H₂O and 2 ([Ag₂(L2)(H₂O)(SO₃CF₃)₂]路0.5(C₆H₆)), have been synthesized. Compounds 1 and 2 have been fully characterized by IR spectroscopy, elemental anal., and single-crystal x-ray diffraction. The solid state structure of 1 features a macro-ring-containing one-dimensional chain motif. The solid state structure of 2 features a one-dimensional double-chain motif. These double chains are further cross-linked to each other via CpAg(SO₃CF₃)₂AgCp (Ag路路路Ag contact of 4.215(15) 脜) linkage into a novel 2-D network with large cavities (effective cross-section of ca. 21 脳 9 脜), in which the benzene guest mols. are located. In the experiment, the researchers used many compounds, for example, 3-Cyanobenzoyl chloride (cas: 1711-11-1Reference of 1711-11-1).

3-Cyanobenzoyl chloride (cas: 1711-11-1) 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.Reference of 1711-11-1

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

Chemometric analysis of substituent effects. VI. A study of ortho effect in dissociation of 2,6-disubstituted benzoic acids was written by Kulhanek, Jiri;Pytela, Oldrich. And the article was included in Collection of Czechoslovak Chemical Communications in 1995.Application of 5344-49-0 This article mentions the following:

Ten 2,6-disubstituted benzoic acids have been synthesized containing all possible combinations of the following substituents: CH₃, OCH₃, cl, and NO₂. The dissociation constants of these acids have been measured by potentiometric titration in methanol, acetone, DMSO, DMF, acetonitrile, pyridine, and 1,2-dichloroethane. The exptl. data obtained together with the pK values of 2-substituted benzoic acids in the same solvents have been analyzed from the point of view of ortho effect and additivity of disubstitution. The mutual interaction between substituents was found to represent only 0.12% of the variability due to substitution and to contribute to the overall variability of data less than the interaction between the substituent and solvent by a factor of about 13. The anal. of data by the method of multiple linear regression revealed a contribution of steric effects beside the effects transmitted through the aromatic skeleton. The 2- and 6-substituents effects are additive within the validity of the Hammett equation,a nd an addition of a multiplicative term describing interactions between the substituents is statistically insignificant. Nonlinear regression has been adopted in the additive model with multiplicative term to find the inner substituent constants including all the effects of substituents from ortho position: the term describing the interaction between 2- and 6-substituents is statistically insignificant in this model. An application of the method of conjugated deviations revealed two statistically significant latent variables. The first one explains 91.5% of the variability of data and is connected with the substituent effects transmitted through the aromatic skeleton. The second one explains 7.5% of variability of data and predominantly reflects the steric effects of substituents. In the experiment, the researchers used many compounds, for example, 2-Chloro-6-nitrobenzoic acid (cas: 5344-49-0Application of 5344-49-0).

2-Chloro-6-nitrobenzoic acid (cas: 5344-49-0) 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. Organochlorine compounds are lipophylic, meaning they are more soluble in fat than in water. This gives them a high tenancy to accumulate in the food chain (biomagnification).Application of 5344-49-0

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