Tag: 200-300

Discovery of disubstituted xylylene derivatives as small molecule direct inhibitors of Keap1-Nrf2 protein-protein interaction was written by Abed, Dhulfiqar Ali;Lee, Sumi;Hu, Longqin. And the article was included in Bioorganic & Medicinal Chemistry in 2020.Related Products of 63624-28-2 This article mentions the following:

The Keap1-Nrf2-ARE system represents a crucial antioxidant defense mechanism that protects cells against reactive oxygen species. Targeting Keap1-Nrf2 protein-protein interaction (PPI) has become a promising drug target for several oxidative stress-related and inflammatory diseases including pulmonary fibrosis, chronic obstructive pulmonary disorder (COPD) and cancer chemoprevention. For the development of a potential therapeutic agent, drug-like properties and potency are important considerations. In this work, we focused on the modification of 4 as a lead through a mol. dissection strategy in an effort to improve its metabolic stability, leading to the discovery of a series of new disubstituted xylylene derivatives The preliminary SAR of 9a indicated that compound 21a containing S-methylated acetate moieties exhibited comparable potency to the lead compound 4 in a fluorescent polarization assay but with improved metabolic stability in the presence of human liver microsomes. In the experiment, the researchers used many compounds, for example, 2,4-Dimethoxybenzene-1-sulfonyl chloride (cas: 63624-28-2Related Products of 63624-28-2).

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

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

The crystal structures of three disordered 2-substituted benzimidazole esters was written by Harish Chinthal, Chayanna;Yathirajan, Hemmige S.;Manju, Nagaraja;Kalluraya, Balakrishna;Foro, Sabine;Glidewell, Christopher. And the article was included in Acta Crystallographica, Section E: Crystallographic Communications in 2021.Application In Synthesis of Ethyl 4-chloro-3-nitrobenzoate This article mentions the following:

The crystal structures of three benzimidazole esters containing aryl or heterocyclic substituents at position 2 are reported, and all three exhibit disorder of mol. entities. In Et 1-methyl-2-[4-(prop-2-ynoxy)phenyl]-1H-benzimidazole-5-carboxylate, C₂₀H₁₈N₂O₃, (I), the prop-2-yn-1-oxyphenyl unit is disordered over two sets of at. sites having effectively equal occupancies, 0.506 (5) and 0.494 (5). The Pr substituent in Et 1-propyl-2-(pyren-1-yl)-1H-benzimidazole-5-carboxylate, C₂₉H₂₄N₂O₂, (II), is disordered over two sets of at. sites having occupancies 0.601 (8) and 0.399 (8), and the ester unit in Et 1-methyl-2-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-1H-benzimidazole-5-carboxylate, C₂₁H₁₉ClN₄O₂ (III), is disordered over two sets of at. sites having occupancies 0.645 (7) and 0.355 (7). In each of the C-H···π(arene) hydrogen bonds in (I), the donor and acceptor form parts of different disorder components, so that no continuous aggregation is possible. The mols. of (II) are linked by a single C-H···O hydrogen bond into C(10) chains, which are linked into sheets by a π-π stacking interaction, whereas those of (III) are just linked into C(13) chains, again by a single C-H···O hydrogen bond. Comparisons are made with the structures of some related compounds In the experiment, the researchers used many compounds, for example, Ethyl 4-chloro-3-nitrobenzoate (cas: 16588-16-2Application In Synthesis of Ethyl 4-chloro-3-nitrobenzoate).

Ethyl 4-chloro-3-nitrobenzoate (cas: 16588-16-2) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Application In Synthesis of Ethyl 4-chloro-3-nitrobenzoate

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

Targeting tubulin polymerization by novel 7-aryl-pyrroloquinolinones: Synthesis, biological activity and SARs was written by Bortolozzi, Roberta;Mattiuzzo, Elena;Dal Pra, Matteo;Sturlese, Mattia;Moro, Stefano;Hamel, Ernest;Carta, Davide;Viola, Giampietro;Ferlin, Maria Grazia. And the article was included in European Journal of Medicinal Chemistry in 2018.Synthetic Route of C18H37Cl This article mentions the following:

For wide-ranging SARs, a series of 7-arylpyrroloquinolinones, e.g., I (R¹ = Me, Ph, 1-naphthyl, 1,3-benzodioxol-5-yl, etc.; R² = Et, n-C₁₈H₃₇), was synthesized through a robust procedure. For comparison with the reference 3-ethyl-7-phenyl-3H-pyrrolo[3-2-f]quinolin-9-one, the angular geometry and substituents at the 3 and 7 positions were varied to explore interactions inside the colchicine site of tubulin. Among the new compounds synthesized, potent cytotoxicity (low and sub-nanomolar GI₅₀ values) was observed with compounds I (R¹ = 1-naphthyl, 1,3-benzodioxol-5-yl; R² = Et), both more potent than 3-ethyl-7-phenyl-3H-pyrrolo[3-2-f]quinolin-9-one, in both leukemic and solid tumor cell lines. Neither of the two above compounds I induced significant cell death in normal human lymphocytes, suggesting that these compounds may be selectively active against cancer cells. In particular, I (R¹ = 1,3-benzodioxol-5-yl; R² = Et) (II) was a potent inducer of apoptosis in the A549 and HeLa cell lines. With both compounds, induction of apoptosis was associated with dissipation of the mitochondrial transmembrane potential and production of reactive oxygen species, indicating that cells treated with these compounds followed the intrinsic pathway of apoptosis. Moreover, immunoblot anal. revealed that the compound II even at 50 nM reduced the expression of anti-apoptotic proteins such as Bcl-2 and Mcl-1. Finally, mol. docking studies of the newly synthesized compounds demonstrate that active pyrroloquinolinone derivatives strongly bind in the colchicine site of β-tubulin. In the experiment, the researchers used many compounds, for example, 1-Chlorooctadecane (cas: 3386-33-2Synthetic Route of C18H37Cl).

1-Chlorooctadecane (cas: 3386-33-2) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Synthetic Route of C18H37Cl

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

Heterogeneous silica-polyimide aerogel-in-aerogel nanocomposites was written by Kantor, Zuzanna;Wu, Tingting;Zeng, Zhihui;Gaan, Sabyasachi;Lehner, Sandro;Jovic, Milijana;Bonnin, Anne;Pan, Zhengyuan;Mazrouei-Sebdani, Zahra;Opris, Dorina M.;Koebel, Matthias M.;Malfait, Wim J.;Zhao, Shanyu. And the article was included in Chemical Engineering Journal (Amsterdam, Netherlands) in 2022.Recommanded Product: 4422-95-1 This article mentions the following:

Polymer aerogels are a promising, non-brittle alternative to silica aerogel, but are limited by their very poor high-temperature stability. Polyimide is widely known for its high heat-resistance, however, a high degree of volume shrinkage is common for polyimide aerogels after exposure to temperatures above 200°C. Here, we present the aerogel-in-aerogel composites that comprise silica aerogel grains with a nanoparticulate microstructure embedded in a nanofibrous polyimide aerogel matrix. The mixing procedure and synthesis protocol were optimized to avoid excessive infiltration of the polyimide sol into the silica aerogel mesopores. The composites display a unique, heterogeneous structure with a high surface area, > 600 m² g^-1, a low thermal conductivity down to 17.5 mW m^-1 K^-1, a very low dielec. constant (âˆ?.5 at 10^-1-10⁶ Hz, âˆ?.2 at 8-12.5 GHz, âˆ?.2 at 26.5-32 GHz) and dielec. loss (10^-3 to 10^-1 at all studied frequencies). The hydrophobic silica aerogel component contributes a high water resistance, with high water contact angles (>150°) and a low humidity uptake (<4 weight% at 88% relative humidity), and a much-reduced volume shrinkage at high temperature The polyimide component imparts excellent mech. properties to the composites, including improved compressive modulus, compressive and bending strengths. The composite aerogels offer great potential for applications that require high mech. strength, a low dielec. constant and/or thermal conductivity and/or high-temperature stability. In the experiment, the researchers used many compounds, for example, Trimesoylchloride (cas: 4422-95-1Recommanded Product: 4422-95-1).

Trimesoylchloride (cas: 4422-95-1) 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. 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.Recommanded Product: 4422-95-1

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

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

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

Periodic and spatial spreading of alkanes and Alcanivorax bacteria in deep waters of the mariana trench was written by Li, Wen-Li;Huang, Jiao-Mei;Zhang, Pei-Wei;Cui, Guo-Jie;Wei, Zhan-Fei;Wu, Yu-Zhi;Gao, Zhao-Ming;Han, Zhuang;Wang, Yong. And the article was included in Applied and Environmental Microbiology in 2019.Product Details of 3386-33-2 This article mentions the following:

In subduction zones, serpentinization and biol. processes may release alkanes to the deep waters, which would probably result in the rapid spread of Alcanivorax. However, the timing and area of the alkane distribution and associated enrichment of alkane-degrading microbes in the dark world of the deep ocean have not been explored. In this study, we report the richness (up to 17.8%) of alkane-degrading bacteria, represented by Alcanivorax jadensis, in deep water samples obtained at 3,000 to 6,000 m in the Mariana Trench in two cruises. The relative abundance of A. jadensis correlated with copy numbers of functional almA and alkB genes, which are involved in alkane degradation In these water samples, we detected a high flux of alkanes, which probably resulted in the prevalence of A. jadensis in the deep waters. Contigs of A. jadensis were binned from the metagenomes for examination of alkane degradation pathways and deep sea-specific pathways, which revealed a lack of nitrate and nitrite dissimilatory reduction in our A. jadensis strains. Comparing the results for the two cruises conducted close to each other, we suggest periodic release of alkanes that may spread widely but periodically in the trench. Distribution of alkane-degrading bacteria in the world′s oceans suggests the periodic and remarkable contributions of Alcanivorax to the deep sea organic carbon and nitrogen sources. IMPORTANCE In the oligotrophic environment of the Mariana Trench, alkanes as carbohydrates are important for the ecosystem, but their spatial and periodic spreading in deep waters has never been reported. Alkane-degrading bacteria such as Alcanivorax spp. are biol. signals of the alkane distribution. In the present study, Alcanivorax was abundant in some waters, at depths of up to 6,000 m, in the Mariana Trench. Genomic, transcriptomic, and chem. analyses provide evidence for the presence and activities of Alcanivorax jadensis in deep sea zones. The periodic spreading of alkanes, probably from the subductive plates, might have fundamentally modified the local microbial communities, as well as perhaps the deep sea microenvironment. 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. 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. Aliphatic organochlorides are often alkylating agents as chlorine can act as a leaving group, which can result in cellular damage.Product Details of 3386-33-2

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

Microwave assisted mild, rapid, solvent-less, and catalyst-free chemoselective N-tert-butyloxycarbonylation of amines was written by Dighe, Satish N.;Jadhav, Hemant R.. And the article was included in Tetrahedron Letters in 2012.Application In Synthesis of tert-Butyl (4-chlorophenyl)carbamate This article mentions the following:

Microwave assisted simple, rapid, solventless, and catalyst-free chemoselective method for the protection of amino group in aromatic, aliphatic, heterocyclic, aralkyl amines, Ph hydrazine, and amino acid esters in good to excellent isolated yield (83-98%) in short reaction time (2-12 min) has been reported. In the experiment, the researchers used many compounds, for example, tert-Butyl (4-chlorophenyl)carbamate (cas: 18437-66-6Application In Synthesis of tert-Butyl (4-chlorophenyl)carbamate).

tert-Butyl (4-chlorophenyl)carbamate (cas: 18437-66-6) 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.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.Application In Synthesis of tert-Butyl (4-chlorophenyl)carbamate

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

Discovery of novel anti-angiogenesis agents. Part 8: Diaryl thiourea bearing 1H-indazole-3-amine as multi-target RTKs inhibitors was written by Sun, Ying;Shan, Yuanyuan;Li, Chuansheng;Si, Ru;Pan, Xiaoyan;Wang, Binghe;Zhang, Jie. And the article was included in European Journal of Medicinal Chemistry in 2017.Safety of 2,4-Dichlorophenylisothiocyanate This article mentions the following:

VEGFR-2, TIE-2, and EphB4 are essential for both angiogenesis and tumorigenesis. Herein, the authors designed and prepared three classes of multi-target inhibitors based on the extensive sequence homol. along the kinase domain of angiogenic RTKs. Biol. evaluation indicated that these multi-target inhibitors exhibited considerable potential as novel anti-angiogenic and anticancer agents. Among them, a diaryl thiourea bearing 1H-indazole-3-amine (16a, N-[4-(3-amino-1H-indazol-4-yl)phenyl]-N’-[5-bromo-2-(trifluoromethoxy)phenyl]thiourea) displayed the most potent RTK inhibition and excellent selectivity. It also showed inhibition on viability of human umbilical vein endothelial cells and anti-proliferation against a broad spectrum of cancer cells. Therefore, 1H-indazole-3-amine could serve as a promising hinge binding group for multi-target inhibitors of VEGFR-2, Tie-2, and EphB4. In the experiment, the researchers used many compounds, for example, 2,4-Dichlorophenylisothiocyanate (cas: 6590-96-1Safety of 2,4-Dichlorophenylisothiocyanate).

2,4-Dichlorophenylisothiocyanate (cas: 6590-96-1) 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.Safety of 2,4-Dichlorophenylisothiocyanate

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