Month: January 2023

Metabolism of SKLB-TB1001, a potent antituberculosis agent, in animals was written by Xiong, Lu;Gao, Chao;Shi, Yao-Jie;Tao, Xin;Peng, Cui-Ting;Rong, Juan;Liu, Kun-Lin;Lei, Qian;Zhang, Yi-Wen;Wang, Ning-Yu;Yu, Luo-Ting. And the article was included in Antimicrobial Agents and Chemotherapy in 2018.Name: 2-Chloro-3-nitro-5-(trifluoromethyl)benzoic acid This article mentions the following:

Tuberculosis is a major global health problem, and the emergence of multidrug-resistant and extensively drug-resistant strains has increased the difficulty of treating this disease. Among the novel antituberculosis drugs in the pipeline, decaprenylphosphoryl-beta-D-ribose-2-epimerase (DprE1) inhibitors such as BTZ043 and pBTZ169 exhibited extraordinary antituberculosis potency. Here, the metabolites of the new DprE1 inhibitor SKLB-TB1001 in vivo and its inhibition of cytochrome P 450 isoforms and plasma protein binding (PPB) in vitro were studied. The results showed that rapid transformation and high PPB resulted in inadequate exposure in vivo and thus led to the moderate potency of SKLB-TB1001 in vivo. This study provided explanations for the discrepant potency of this scaffold in vivo and in vitro. Meanwhile, it also provides a rationale for lead optimization of this very promising scaffold of antituberculosis agents to prevent them from being metabolized, thus improving their exposure in vivo. In the experiment, the researchers used many compounds, for example, 2-Chloro-3-nitro-5-(trifluoromethyl)benzoic acid (cas: 22227-59-4Name: 2-Chloro-3-nitro-5-(trifluoromethyl)benzoic acid).

2-Chloro-3-nitro-5-(trifluoromethyl)benzoic acid (cas: 22227-59-4) 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.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.Name: 2-Chloro-3-nitro-5-(trifluoromethyl)benzoic acid

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

Nonsolvent Application of Ionic Liquids: Organo-Catalysis by 1-Alkyl-3-methylimidazolium Cation Based Room-Temperature Ionic Liquids for Chemoselective N-tert-Butyloxycarbonylation of Amines and the Influence of the C-2 Hydrogen on Catalytic Efficiency was written by Sarkar, Anirban;Roy, Sudipta Raha;Parikh, Naisargee;Chakraborti, Asit K.. And the article was included in Journal of Organic Chemistry in 2011.Application of 18437-66-6 This article mentions the following:

Imidazolium ionic liquids such as [bmim]⁺·Tf₂N^– (I; bmim = 1-butyl-3-methylimidazolium) efficiently catalyze the chemoselective N-tert-butyloxycarbonylation of amines; the catalyst can be recycled by extraction of the product into ether followed by heating under vacuum. The ionic liquid catalyst activates di-tert-Bu dicarbonate electrophilically through formation of a bifurcated hydrogen bond with the C-2 hydrogen of the imidazolium cation; the role of the C2 proton in catalysis is supported by the change in the ¹H NMR shift of the imidazolium C-2 hydrogen of I from δ 8.39 to δ 8.66 in the presence of Boc₂O and by the significantly reduced activities of analogous 1-butyl-2,3-dimethylimidazolium ionic liquids lacking C-2 hydrogens. Alkylamines are tert-butoxycarbonylated more rapidly than aromatic amines, allowing the chemoselective protection of the benzylamine moiety of 4-aminobenzylamine; Boc protection of piperidine and 1-piperidineethanamine in the presence of I yields a 62:38 mixture of the Boc piperidine and tert-Bu piperidineethylcarbamate. The efficiencies of the Boc protection of 3-chloro-4-fluoroaniline in the presence of I and in the presence of Lewis acids (from literature references) are compared. In the experiment, the researchers used many compounds, for example, tert-Butyl (4-chlorophenyl)carbamate (cas: 18437-66-6Application of 18437-66-6).

tert-Butyl (4-chlorophenyl)carbamate (cas: 18437-66-6) 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. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Application of 18437-66-6

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

CON4EI: Selection of the reference chemicals for hazard identification and labelling of eye irritating chemicals was written by Adriaens, E.;Alepee, N.;Kandarova, H.;Drzewieckac, A.;Gruszka, K.;Guest, R.;Willoughby, J. A. Sr.;Verstraelen, S.;Van Rompay, A. R.. And the article was included in Toxicology In Vitro in 2017.SDS of cas: 96568-04-6 This article mentions the following:

Assessment of the acute eye irritation potential is part of the international regulatory requirements for testing of chems. In the past, several prospective and retrospective validation studies have taken place in the area of serious eye damage/eye irritation testing. Success in terms of complete replacement of the regulatory in vivo Draize rabbit eye test has not yet been achieved. A very important aspect to ensure development of successful alternative test methods and/or strategies for serious eye damage/eye irritation testing is the selection of appropriate reference chems. A set of 80 reference chems. was selected for the CEFIC-LRI-AIMT6-VITO CON4EI (CONsortium for in vitro Eye Irritation testing strategy) project, in collaboration with Cosmetics Europe, from the Draize Reference Database published by Cosmetics Europe based on key criteria that were set in their paper (e.g. balanced by important driver of classification and phys. state). The most important goals of the CON4EI project were to identify the performance of eight in vitro alternative tests in terms of driver of classification and to identify similarities/differences between the methods in order the build a successful testing strategy that can discriminate between all UN GHS categories. This paper provides background on selection of the test chems. In the experiment, the researchers used many compounds, for example, Ethyl 3-(2,6-Dichloro-5-fluoro-3-pyridyl)-3-oxopropionate (cas: 96568-04-6SDS of cas: 96568-04-6).

Ethyl 3-(2,6-Dichloro-5-fluoro-3-pyridyl)-3-oxopropionate (cas: 96568-04-6) 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.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: 96568-04-6

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

Chemical compounds, antioxidant properties, and antimicrobial activity of olive leaves derived volatile oil in West Anatolia was written by Vural, Niluefer;Akay, M. Abduelkadir. And the article was included in Journal of the Turkish Chemical Society, Section A: Chemistry in 2021.Product Details of 3386-33-2 This article mentions the following:

In this article, the chem. compounds, antimicrobial and antioxidant activity of the volatile oil from leaves of Olea europaea L. cultivar from Turkey (Ayvalik) has been studied. The essential oil was provided with a Clevenger apparatus and analyzed by GC-MS/FID. This anal. leads to the detection of 42 compounds representing 99.59±1.15% of the total oil. The major constituents were a-pinene (9.82±0.33%), benzylalc. (8.83±0.27%), phenethylalc. (8.52±0.25%), 2-monopalmitin (8.13±0.28%), palmitic acid (5.53±0.41%), octadecanoic acid 2,3-dihydroxypropylester (5.84±0.42%), phytol (4.22±0.17%), and benzaldehyde (4.21±0.38%). The antimicrobial activities of the dried leaves essential oils were assessed against seven bacterial and four fungal strains. Significantly, the essential oil has an efficient antibacterial activity toward to the bacterial strains such as Bacillus cereus ATCC 14579, Candida albicans ATCC 10231, Enterococcus faecalis ATCC 29212 and Klebsiella pneumoniae ATCC 13883. The olive a leaf essential oils showed significant antimicrobial and antioxidant effects. This study gives more knowledge for the development of this crucial therapeutic plant. In the experiment, the researchers used many compounds, for example, 1-Chlorooctadecane (cas: 3386-33-2Product Details of 3386-33-2).

1-Chlorooctadecane (cas: 3386-33-2) 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.Product Details of 3386-33-2

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

Synthesis of Furans and Pyrroles from 2-Alkoxy-2,3-dihydrofurans Through a Nucleophilic Substitution-Triggered Heteroaromatization was written by Liu, Changhui;Zhou, Li;Huang, Wenbo;Wang, Man;Gu, Yanlong. And the article was included in Advanced Synthesis & Catalysis in 2016.Reference of 96568-04-6 This article mentions the following:

An effective method to synthesize α-functionalized furan and pyrrole derivatives was developed using 2-alkoxy-2,3-dihydrofurans as modular precursors. This protocol featured a previously unreported tandem nucleophilic substitution/heteroaromatization reaction. Nucleophiles such as indole, α-oxoketene dithioacetal, trimethoxybenzene, and dimethoxynaphthalene can react readily with 2-alkoxy-2,3-dihydrofurans to afford α-functionalized five-membered ring heterocycles in the presence of acid catalysts, such as copper bromide and iron chloride. The mechanism of the reaction was also discussed, in which the first step, nucleophilic substitution, is the key in triggering the succeeding heteroaromatization. This method can also be extended to the synthesis of dihydrothiophenes. In the experiment, the researchers used many compounds, for example, Ethyl 3-(2,6-Dichloro-5-fluoro-3-pyridyl)-3-oxopropionate (cas: 96568-04-6Reference of 96568-04-6).

Ethyl 3-(2,6-Dichloro-5-fluoro-3-pyridyl)-3-oxopropionate (cas: 96568-04-6) 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. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Reference of 96568-04-6

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

Ligand-Promoted Rh^III-Catalyzed Thiolation of Benzamides with a Broad Disulfide Scope was written by Kang, Yan-Shang;Zhang, Ping;Li, Min-Yan;Chen, You-Ke;Xu, Hua-Jin;Zhao, Jing;Sun, Wei-Yin;Yu, Jin-Quan;Lu, Yi. And the article was included in Angewandte Chemie, International Edition in 2019.Reference of 1711-11-1 This article mentions the following:

A ligand-promoted Rh^III-catalyzed C(sp²)-H activation/thiolation of benzamides has been developed. Using bidentate mono-N-protected amino acid ligands led to the first example of Rh^III-catalyzed aryl thiolation reactions directed by weakly coordinating directing amide groups. The reaction tolerates a broad range of amides and disulfide reagents. 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. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. 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 1711-11-1

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

Comparative analysis of volatile components of Artemisiae Argyi Folium from different origins using HS-SPME-GC-MS combined with chemometric analysis was written by Liang, Huan;Lu, Jin-qing;Dai, Yi;Li, Xiao-shuang;Guo, Sheng-nan. And the article was included in Zhongguo Shiyan Fangjixue Zazhi in 2014.Recommanded Product: 1-Chlorooctadecane This article mentions the following:

The aim of this study was to establish a rapid method to analyze the volatile components of Artemisiae Argyi Folium and to study the content and distribution characteristics of Artemisiae Argyi Folium from different habitats. The volatile components were investigated by headspace solid-phase microextraction gas chromatog.-mass spectrometry (HS-SPME-GC-MS) based on the Agilent productivity Chem Station and were quantified roughly by peak area normalization method. The data were analyzed by principal component anal. (PCA) and cluster anal. (CA). Eighty-four components were identified preliminarily, which were mainlyketones, alkenes, aldehydes and alcs. There were significant differences in essential components of Artemisiae Argyi Folium from different habitats. It could be distinguished effectively by principal component anal. and cluster anal. The quality of Artemisiae Argyi Folium from Qichun of Hubei province was the best, followed by from Guangbu of Hunan province and Tangying of Henan province. The results of the cluster anal. revealed five main clusters. The method was reliable and stable. This method could be applied to analyze the volatile components of Artemisiae Argyi Folium. It would provide the scientific basis for quality assessment of Artemisiae Argyi Folium. In the experiment, the researchers used many compounds, for example, 1-Chlorooctadecane (cas: 3386-33-2Recommanded Product: 1-Chlorooctadecane).

1-Chlorooctadecane (cas: 3386-33-2) 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.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.Recommanded Product: 1-Chlorooctadecane

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

Methylation of aniline and its derivatives with dimethyl carbonate in the presence of binder-free micro-, meso-, and macroporous zeolites KNaX, NaY, and HY was written by Khusnutdinov, R. I.;Shchadneva, N. A.;Mayakova, Yu. Yu.;Ardieva, S. I.;Khazipova, A. N.;Kutepov, B. I.. And the article was included in Russian Journal of Organic Chemistry in 2016.Recommanded Product: 2-Chloro-N,N-dimethylaniline This article mentions the following:

Aniline and its derivatives RC₆H₄NH₂ (R = H, 3-CH₃, 4-Br, etc.) which undergo methylation when treated with di-Me carbonate in the presence of binder-free micro-, meso-, and macroporous zeolites KNaX, NaY, and HY and leads to the formation of N-methyl- and N,N-dimethylanilines RC₆H₄NHCH₃, RC₆H₄N(CH₃)₂ have been described. In the experiment, the researchers used many compounds, for example, 2-Chloro-N,N-dimethylaniline (cas: 698-01-1Recommanded Product: 2-Chloro-N,N-dimethylaniline).

2-Chloro-N,N-dimethylaniline (cas: 698-01-1) 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. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Recommanded Product: 2-Chloro-N,N-dimethylaniline

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

Discovery of 1H-Pyrazole Biaryl Sulfonamides as Novel G2019S-LRRK2 Kinase Inhibitors was written by Lesniak, Robert K.;Nichols, R. Jeremy;Schonemann, Marcus;Zhao, Jing;Gajera, Chandresh R.;Lam, Grace;Nguyen, Khanh C.;Langston, J. William;Smith, Mark;Montine, Thomas J.. And the article was included in ACS Medicinal Chemistry Letters in 2022.Recommanded Product: 2-(4-Chloro-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane This article mentions the following:

G2019S (GS) is the most prevalent mutation in the leucine rich repeat protein kinase 2 gene (LRRK2), a genetic predisposition that is common for Parkinson’s disease, as well as for some forms of cancer, and is a shared risk allele for Crohn’s disease. GS-LRRK2 has a hyperactive kinase, and although numerous drug discovery programs have targeted LRRK2 kinase, few have reached clin. development. We report the discovery and preliminary development of an entirely novel structural class of potent and selective GS-LRRK2 kinase inhibitors: biaryl-1H-pyrazoles. In the experiment, the researchers used many compounds, for example, 2-(4-Chloro-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (cas: 1030832-75-7Recommanded Product: 2-(4-Chloro-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane).

2-(4-Chloro-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane (cas: 1030832-75-7) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. 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: 2-(4-Chloro-2-methylphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

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

Dissociation constants of organic acids was written by Kendall, J.. And the article was included in Med. Vetenskaps. Nobelinst. in 1914.Name: 3-Chloro-5-nitrobenzoic acid This article mentions the following:

The apparatus and method have been previously described (C. A., 6, 3043). K.’s value for H⁺ ion at 25°, Λ₀ = 347.2 was used. The expression m²/(1-m)v = k + c(1-m)/m, (1), where k and c are constants for a particular acid, expresses the results of the previous work. The conductivity of HOAc at 25° was means. from N to 0.0005 N. The value of (k + c(1-m)/m) = K’ increased with the dilution up to v = 16, after which it was 1.84 × 10^-5. HOAc is such a weak acid that the value of the constant c in eq. (1) is negligibly small. For HCOOCH₂CN Λ₀ = 398.2 and K’ = 3.91 to 3.69 × 10^-3 between 0.03 N and 0.0002 N. For KCOOCHCl₂ Λ₀ = 112.9 and K’ for the acid changes with the concentrate from 0.0933 at N to 0.0490 at 0.002 N; for KCOOCCl₃, Λ₀ = 111.2 and K’ for the acid changes from 0.423 to 0.091 between N and 0.002 N. Here the acids are so strong that values of k and c in equation (1) cannot be calculate For trichlorobutyric acid Λ₀ = 376.0, K’ = 0.148 at 0.03 N to 0.0102 at 0.002 N; o-chlorobenzoic acid, Λ₀ = 380.0; K’ = 1.288 to 1.281 × 10^-2 from 0.0006 N to 0.0002 N; o-nitrobenzoic acid, Λ₀ = 379.4, K’ = 6.75 to 6.21 × 10^-2 between 0.03 N and 0.002 N; m,m-dinitrobenzoic acid, Λ₀ = 376.3, K’ = 1.57 × 10^-2; m-chloro-m-nitrobenzoic acid, K’ = 7.48 × 10^-4. Good agreement is found between eq. (1) and the observed values, but the exact theoretical significance of the equation does not seem to be apparent. The value Λ₀ = 380.2 is given for salicylic acid, but the value of K’ does not become constant, even at 0.0002 N, probably on account of the diss. of the second H⁺ ion. For 5-bromosalicylic acid K’ goes through a minimum about 0.002 N, then increases as the dilution proceeds. A similar increase was found at the lower concentrate for 1,2,4-hydroxysalicylic acid, ?-1-2-4-bromohydroxysalicylic acid, 1,2,5-hydroxysalicylic acid and ?-1-2-5-bromohydroxysalicylic acid. In the experiment, the researchers used many compounds, for example, 3-Chloro-5-nitrobenzoic acid (cas: 34662-36-7Name: 3-Chloro-5-nitrobenzoic acid).

3-Chloro-5-nitrobenzoic acid (cas: 34662-36-7) 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 readily react with amines to give substituted amines. Alkyl chlorides are substituted by softer halides such as the iodide in the Finkelstein reaction.Name: 3-Chloro-5-nitrobenzoic acid

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