Month: February 2023

Design, synthesis and biological evaluation of novel N-sulfonylamidine-based derivatives as c-Met inhibitors via Cu-catalyzed three-component reaction was written by Nan, Xiang;Zhang, Jing;Li, Hui-Jing;Wu, Rui;Fang, Sen-Biao;Zhang, Zhi-Zhou;Wu, Yan-Chao. And the article was included in European Journal of Medicinal Chemistry in 2020.Computed Properties of C8H9Cl This article mentions the following:

A series of new N-sulfonylamidine derivatives were designed, synthesized via Cu-catalyzed multicomponent reaction (MCR) as the key step, and evaluated for their in vitro biol. activities against c-Met kinase and four cancer cell lines (A549, HT-29, MKN-45 and MDA-MB-231). Most of the target compounds showed moderate to significant potency at enzyme and cell-based assay. The preliminary SAR studies demonstrated that compound I (c-Met IC₅₀ = 2.89 nM) was the most promising compound compared with the pos. foretinib, which exhibited the remarkable antiproliferative activities, with IC₅₀ values ranging from 0.28 to 0.72渭M. Mechanistic studies of compound I showed the anticancer activity was closely related to the blocking phosphorylation of c-Met, leading to cell cycle arresting at G2/M phase and apoptosis of A549 cells by a concentration-dependent manner. The promising compound I was further identified as a relatively selective inhibitor of c-Met kinase, which also possessed an acceptable safety profile and favorable pharmacokinetic properties in BALB/c mouse. The favorable drug-likeness of I suggested that N-sulfonylamidines may be used as a promising scaffold for antitumor drug development. Addnl., the docking study and mol. dynamics simulations of I revealed a common mode of interaction with the binding site of c-Met. These pos. results indicated that I is a potential anti-cancer candidate for clin. trials, and deserves further development as a selective c-Met inhibitor. In the experiment, the researchers used many compounds, for example, 1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9Computed Properties of C8H9Cl).

1-(Chloromethyl)-3-methylbenzene (cas: 620-19-9) 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).Computed Properties of C8H9Cl

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

3,4,5-Trisubstituted isoxazoles as novel PPAR未 agonists. Part 2 was written by Epple, Robert;Azimioara, Mihai;Russo, Ross;Xie, Yongping;Wang, Xing;Cow, Christopher;Wityak, John;Karanewsky, Don;Bursulaya, Badry;Kreusch, Andreas;Tuntland, Tove;Gerken, Andrea;Iskandar, Maya;Saez, Enrique;Martin Seidel, H.;Tian, Shin-Shay. And the article was included in Bioorganic & Medicinal Chemistry Letters in 2006.Application In Synthesis of Methyl 3-chloro-4-hydroxyphenylacetate This article mentions the following:

A series of PPAR未-selective agonists was investigated and optimized for a favorable in vivo pharmacokinetic profile. Isoxazole LCI765 (I) was a potent and selective PPAR未 agonist with good in vivo PK properties in mouse (C_max = 5.1 渭M, t_1/2 = 3.1 h). LCI765 regulated expression of genes involved in energy homeostasis in relevant tissues when dosed orally in C57BL6 mice. A co-crystal structure of compound LCI765 and the LBD of PPAR未 is discussed. In the experiment, the researchers used many compounds, for example, Methyl 3-chloro-4-hydroxyphenylacetate (cas: 57017-95-5Application In Synthesis of Methyl 3-chloro-4-hydroxyphenylacetate).

Methyl 3-chloro-4-hydroxyphenylacetate (cas: 57017-95-5) 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 In Synthesis of Methyl 3-chloro-4-hydroxyphenylacetate

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

Quantitatively relating the structural performance of polyamide layer with skin layer modified via in-situ precipitation was written by Zuo, Hao-Ran;Pang, Shu-Ya;Duan, Ming;Su, Wei;Shu, Hang;Xu, Xiang-Feng. And the article was included in Journal of Membrane Science in 2022.Application In Synthesis of Trimesoylchloride This article mentions the following:

How the structure of skin layer determines the structure of incipient film and final membrane formed during interfacial polymerization is decisive for polyamide composite membranes but difficult to monitor. This work introduced a methodol. to predict an estimated initial molar ratio between monomers (畏) via introducing pore diameter (dp), porosity (蔚Skin), tortuosity (蟿Skin), and thickness (lSkin) of skin layer to Fick’s diffusion law to correct flux of monomers. The structure of skin layer was regulated via in-situ preparation of sacrificial precipitation With characterized parameters of dp = 25.91 nm, 蔚Skin = 8.32%, 蟿Skin = 7.41, and lSkin = 260 nm, 畏 was 4.25. The resultant forward osmosis membrane exhibited flux of 58.83 卤 3.58 L/(m2路h) and reverse salt flux of 10.68 卤 2.38 g/(m2路h) under AL-DS mode with 1.0 mol/L NaCl and DI as draw and feed solution, resp., which had broken historical upper boundary. The proposed methodol. can make quant. prediction for the structural performance of polyamide composite membranes. In the experiment, the researchers used many compounds, for example, Trimesoylchloride (cas: 4422-95-1Application In Synthesis of Trimesoylchloride).

Trimesoylchloride (cas: 4422-95-1) 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. 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.Application In Synthesis of Trimesoylchloride

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

Solvent based variations in yield of bioactive extracts from the sclerotium of Pleurotus tuber-regium was written by Ohiri, Reginald C.;Ifeanacho, Mercy O.;Preye, Keku. And the article was included in Chemica Sinica in 2019.Synthetic Route of C18H37Cl This article mentions the following:

Background: The therapeutic effectiveness of herbs and fungi used for medicinal purposes is not only a factor of their bioactive constituents but also a factor of both the extraction solvent and extraction method. Objective: The objective of this study is to extract and analyze the bioactive components in the sclerotum of Pleurotus tuber-regium using different solvents, as to ascertain the solvent that gives a better yield. Method: A quantity of 10.0 kg of fresh sclerotia of P. tuber-regium purchased at Zarama Market in Southern Nigeria was washed, peeled and the white inner parts were sliced using a sterilized knife. The sliced samples were dried at room temperature for fourteen days. After grinding, the bioactive components were extracted by weighing 10 g of sample into three well stopper bottles and each was extracted in 20 mL of specific extraction solvent (methanol, hexane and dichloromethane), while that of soxleth extraction was done in a soxleth apparatus, using ethanol as the solvent. The process was repeated twice and the combined aliquot obtained were concentrated to 5.0 mL and purified. Two milliliters of the extracts were used for gas chromatog. and mass spectroscopy anal. Result: The highest peak on the chromatogram for the methanol extract was observed at 32.644 min., while hexane, dichloromethane and soxhlet extracts had their highest peaks at 31.459 min., 14.254 min. and 18.060 min. resp. The highest bioactive component in methanol extract was (3aR,4R,7R)-1,4,9,9-Tetramethyl-3, 4,5,6,7,8-hexahydro2H-3a,7-methane with a value of 62.856%, while hexane, dichloromethane and soxhlet extracts had Hexasiloxane, tetradecamethyl-, Bis(2-ethylhexyl) phthalate and Phthalic acid, 3-chlorobenzyl Bu ester with values of 29.170%, 5.092% and 25.490% resp. Conclusion: Hexane and dichloromethane extracts yielded more bioactive components with better nutriceutical and medicinal properties and may be regarded as better solvents for mushroom and fungi extractions. 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 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.Synthetic Route of C18H37Cl

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

Synthesis and evaluation of new thiadiazole derivatives as potential inhibitors of human carbonic anhydrase isozymes (hCA-I and hCA-II) was written by Altintop, Mehlika Dilek;Ozdemir, Ahmet;Kucukoglu, Kaan;Turan-Zitouni, Gulhan;Nadaroglu, Hayrunnisa;Kaplancikli, Zafer Asim. And the article was included in Journal of Enzyme Inhibition and Medicinal Chemistry in 2015.Application of 6590-96-1 This article mentions the following:

2-[[5-(2,4-Difluoro/dichlorophenylamino)-1,3,4-thiadiazol-2-yl]thio]acetophenone derivatives were designed as human carbonic anhydrase isoenzymes (hCA-I and hCA-II) inhibitor and synthesized. HCA-I and hCA-II were purified from erythrocyte cells by affinity chromatog. The inhibitory effects of 18 newly synthesized acetophenones on hydratase activity of these isoenzymes were studied in vitro. The average IC₅₀ values of the new compounds for hydratase activity ranged from 0.033 to 0.14 渭M for hCA-I and from 0.030 to 0.11 渭M for hCA-II. Among the newly synthesized compounds, 2-[[5-(2,4-dichlorophenylamino)-1,3,4-thiadiazol-2-yl]thio]-4′-bromoacetophenone can be considered as a promising hCA-II inhibitor owing to its selective and potent inhibitory effect on hCA-II. In the experiment, the researchers used many compounds, for example, 2,4-Dichlorophenylisothiocyanate (cas: 6590-96-1Application of 6590-96-1).

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. 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 6590-96-1

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

N-Pyridyl and Pyrimidine Benzamides as KCNQ2/Q3 Potassium Channel Openers for the Treatment of Epilepsy was written by Amato, George;Roeloffs, Rosemarie;Rigdon, Greg C.;Antonio, Brett;Mersch, Theresa;McNaughton-Smith, Grant;Wickenden, Alan D.;Fritch, Paul;Suto, Mark J.. And the article was included in ACS Medicinal Chemistry Letters in 2011.HPLC of Formula: 1711-11-1 This article mentions the following:

A series of N-pyridyl benzamide KCNQ2/Q3 potassium channel openers were identified and found to be active in animal models of epilepsy and pain. The best compound 12 [ICA-027243, N-(6-chloro-pyridin-3-yl)-3,4-difluoro-benzamide] has an EC₅₀ of 0.38 渭M and is selective for KCNQ2/Q3 channels. This compound was active in several rodent models of epilepsy and pain but upon repeated dosing had a number of unacceptable toxicities that prevented further development. On the basis of the structure-activity relationships developed around 12, a second compound, 51, [N-(2-chloro-pyrimidin-5-yl)-3,4-difluoro-benzamide, ICA-069673], was prepared and advanced into a phase 1 clin. study. Herein, we describe the structure-activity relationships that led to the identification of compound 12 and to the corresponding pyrimidine 51. In the experiment, the researchers used many compounds, for example, 3-Cyanobenzoyl chloride (cas: 1711-11-1HPLC of Formula: 1711-11-1).

3-Cyanobenzoyl chloride (cas: 1711-11-1) 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. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.HPLC of Formula: 1711-11-1

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

Synthetic and mechanistic aspects of anionic polymerization of methyl methacrylate using tetrabutyl ammonium thioimidate was written by Ge, Fang;Zhang, Qun;Wang, Xiaowu. And the article was included in Journal of Polymer Science (Hoboken, NJ, United States) in 2021.Formula: C13H9Cl3N2O This article mentions the following:

The tetrabutylammonium salts of ionic organo-initiator containing N,N’-diisopropylthiourea (TUA-1) or N,N’-diethylthiourea (TUA-2) serve as inexpensive initiators for the anionic polymerization of Me methacrylate (MMA) at room temperature The mol. weights of obtained polymers are in the range of 1500-22,700 g mol^-1 and the mol. weight distributions are fairly broad (D = 1.9-2.5) in optimized cases. The molar ratio of monomer to initiator can be achieved up to 800. Side-reactions, for example, backbiting, transfer reactions result in the polymerization being a non-living manner, thus leading to broad mol. weight distributions of the resulting polymers. The effects of counterion nature were also studied from the polymerization of MMA using TUA-1 anion with sodium or potassium salts as counterions under identical conditions. Detailed investigation indicates that the polymerization proceeds via a sulfur anion initiated repeated 1,4-Michael addition In general, thioimidate initiators induced MMA polymerization feature certain induction periods, which is ascribed to slow addition thioimidate to C=C double bond of MMA as a result of low initiator efficiency. In the experiment, the researchers used many compounds, for example, 1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea (cas: 101-20-2Formula: C13H9Cl3N2O).

1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea (cas: 101-20-2) 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. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Formula: C13H9Cl3N2O

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

Co-exposure and health risks of several typical endocrine disrupting chemicals in general population in eastern China was written by Wei, Xianping;Hu, Yu;Zhu, Qingqing;Gao, Jia;Liao, Chunyang;Jiang, Guibin. And the article was included in Environmental Research in 2022.SDS of cas: 101-20-2 This article mentions the following:

Human exposure to endocrine disrupting chems. (EDCs) is a health concern due to their wide use and interference with the human endocrine system. Parabens, bisphenols, benzophenones, triclosan (TCC), triclocarban (TCS), and tetrabromobisphenol-A (TBBPA) and its derivatives tetrachlorobisphenol-A (TCBPA) and tetrabromobisphenol-S (TBBPS), are typical EDCs that are frequently detected in environmental and human samples. However, only a few studies have assessed the co-exposure of these chems. in humans. In this study, urine samples were collected from the general population in the city of Wuxi (n = 121) and a county, Taishun (n = 120), eastern China, and analyzed for these EDCs. Parabens, bisphenols, TCS, and benzophenones were frequently detected in urine, whereas TBBPA and its derivatives were not detected. The geometric mean concentrations of parabens, bisphenols, and benzophenones in urine from the Wuxi population were 25.7, 2.45, and 2.34 ng/mL, resp., which were substantially higher than those from the Taishun population (17.2, 1.70, and 2.65 ng/mL). These results suggest an urban-rural difference in urinary EDCs. The exposure risks to these EDCs were estimated based on the measured urinary concentrations and acceptable daily intakes (ADIs). Hazard quotient values for EDCs in humans from both locations were generally less than 1, indicating a low exposure risk of EDCs in these regions. Nonetheless, the health risks caused by co-exposure to such EDCs cannot be ignored. In the experiment, the researchers used many compounds, for example, 1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea (cas: 101-20-2SDS of cas: 101-20-2).

1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl)urea (cas: 101-20-2) 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.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: 101-20-2

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

Mild and General Palladium-Catalyzed Synthesis of Methyl Aryl Ethers Enabled by the Use of a Palladacycle Precatalyst was written by Cheung, Chi Wai;Buchwald, Stephen L.. And the article was included in Organic Letters in 2013.Name: tert-Butyl (4-chlorophenyl)carbamate This article mentions the following:

A general method for the Pd-catalyzed coupling of methanol with (hetero)aryl halides is described. The reactions proceed under mild conditions with a wide range of aryl and heteroaryl halides to give Me aryl ethers in high yield. E.g., in presence of palladacycle precatalyst I (L = tBuBrettPhos) and the ligand tBuBrettPhos, arylation of MeOH by 4-Me₃CC₆H₄Cl gave 93% 4-Me₃CC₆H₄OMe. In the experiment, the researchers used many compounds, for example, tert-Butyl (4-chlorophenyl)carbamate (cas: 18437-66-6Name: tert-Butyl (4-chlorophenyl)carbamate).

tert-Butyl (4-chlorophenyl)carbamate (cas: 18437-66-6) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. 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).Name: tert-Butyl (4-chlorophenyl)carbamate

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

A meta-selective C-H borylation directed by a secondary interaction between ligand and substrate was written by Kuninobu, Yoichiro;Ida, Haruka;Nishi, Mitsumi;Kanai, Motomu. And the article was included in Nature Chemistry in 2015.Safety of 3-Cyanobenzoyl chloride This article mentions the following:

Regioselective C-H bond transformations are potentially the most efficient method for the synthesis of organic mols. However, the presence of many C-H bonds in organic mols. and the high activation barrier for these reactions make these transformations difficult. Directing groups in the reaction substrate are often used to control regioselectivity, which has been especially successful for the ortho-selective functionalization of aromatic substrates. Here, authors describe an iridium-catalyzed meta-selective C-H borylation of aromatic compounds using a newly designed catalytic system. The bipyridine-derived ligand that binds iridium contains a pendant urea moiety. A secondary interaction between this urea and a hydrogen-bond acceptor in the substrate places the iridium in close proximity to the meta-C-H bond and thus controls the regioselectivity. ¹H NMR studies and control experiments support the participation of hydrogen bonds in inducing regioselectivity. Reversible direction of the catalyst through hydrogen bonds is a versatile concept for regioselective C-H transformations. In the experiment, the researchers used many compounds, for example, 3-Cyanobenzoyl chloride (cas: 1711-11-1Safety of 3-Cyanobenzoyl chloride).

3-Cyanobenzoyl chloride (cas: 1711-11-1) belongs to organic chlorides. Organic chlorides can be used in production of: PVC, pesticides, chloromethane, teflon, insulators. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.Safety of 3-Cyanobenzoyl chloride

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