Month: February 2023

Evaluating sewer exfiltration in groundwater by pharmaceutical tracers after the 2016 Kumamoto earthquakes, Japan was written by Kobayashi, Jun;Kuroda, Keisuke;Miyamoto, Chinatsu;Uchiyama, Yukiko;Sankoda, Kenshi;Nakajima, Daisuke. And the article was included in Journal of Hazardous Materials in 2021.Formula: C13H9Cl3N2O This article mentions the following:

In Apr. 2016, a series of earthquakes (M 7.3 on the Japan Meteorol. Agency scale) occurred in Kumamoto, Japan causing serious damage to underground sewerage networks. In this study, we evaluated sewer exfiltration in groundwater in the Kumamoto area after the earthquakes by using multiple tracers. We used 14 pharmaceuticals, including carbamazepine and crotamiton, and anthropogenic Gd as tracers, and we measured concentrations of these tracers from Sept. 2016 to Nov. 2017 seasonally. The detection frequency of caffeine, carbamazepine, crotamiton, ibuprofen, and anthropogenic Gd ranged from 29% to 45%, and the concentrations of the pharmaceuticals in the groundwater were lower than those in previous studies. The median of all pharmaceutical concentrations did not decrease, whereas the median of the sum of crotamiton and carbamazepine concentrations, which are quant. sewage markers, decreased with time. The sewer exfiltration rates in Sept. 2016 estimated using carbamazepine, crotamiton, and anthropogenic Gd were 0.59 卤 0.27%, 0.66 卤 0.47%, and 0.11 卤 0.18% of sewage dry weather flow, resp., indicating that the effect of the earthquakes on sewer exfiltration was small, probably because the damaged sewers were quickly repaired. This study demonstrated that a multiple-tracer approach is useful for evaluating sewer exfiltration after major earthquakes. 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. 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.Formula: C13H9Cl3N2O

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

Phyto-chemical studies of methanol extracts of tinospora cordifolia stem by GC-MS was written by Sinha, Anita;Sharma, H. P.;Singh, Binod;Patnaik, Amit. And the article was included in World Journal of Pharmaceutical Research in 2017.Electric Literature of C18H37Cl This article mentions the following:

Plants are the almost exclusive source of drugs for majority of the world population. The phyto components present in Tinospora cordifolia, locally known as Gilloy, Guduchi or Amrita, is used in the treatment of various ailments in the long-established medicinal system in the state of Jharkhand, India and is also an anti-oxidant and immuno-modulator. Present study was carried out to investigate the phyto-constituenst of the Tinospora cordifolia which contain terpenoids, steroids, glycosides, flavonoids and phlobatannins etc. are confirmed by preliminary phyto-chem. studies. GC-MS anal. of methanol extract of the plant showed the presence of 64 bioactive compounds Some of them are of great interest as they are either anti- cancer or anti-oxidant or both, such as pentanoic acid, Pr ester or valproic acid, phytol or 2-hexadecen-1-ol and 9, 12-octadecadienoic acid (Z, Z), benzenepropanoic acid, 2, 5-dimethoxy-, hexadecanoic acid, Me Ester, octadecanoic acid, n-hexadecanoic acid or palmitic acid. Among all these reported anti-cancer compounds, n-hexadecanoic acid or palmitic acid was present in highest proportion (area 23.12%) in the GC-MS chromatogram. In the experiment, the researchers used many compounds, for example, 1-Chlorooctadecane (cas: 3386-33-2Electric Literature of C18H37Cl).

1-Chlorooctadecane (cas: 3386-33-2) 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. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Electric Literature of C18H37Cl

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

Discovery and biophysical characterization of 2-amino-oxadiazoles as novel antagonists of PqsR, an important regulator of Pseudomonas aeruginosa virulence was written by Zender, Michael;Klein, Tobias;Henn, Claudia;Kirsch, Benjamin;Maurer, Christine K.;Kail, Dagmar;Ritter, Christiane;Dolezal, Olan;Steinbach, Anke;Hartmann, Rolf W.. And the article was included in Journal of Medicinal Chemistry in 2013.Computed Properties of C8H4ClNO This article mentions the following:

The human pathogen Pseudomonas aeruginosa employs alkyl quinolones for cell-to-cell communication. The Pseudomonas quinolone signal (PQS) regulates various virulence factors via interaction with the transcriptional regulator PqsR. Therefore, the authors considered the development of PqsR antagonists as a novel strategy to limit the pathogenicity of P. aeruginosa. A fragment identification approach using surface plasmon resonance screening led to the discovery of chem. diverse PqsR ligands. The optimization of the most promising hit (5) resulted in the oxadiazole-2-amine 37 showing pure antagonistic activity in Escherichia coli (EC₅₀ = 7.5 渭M) and P. aeruginosa (EC₅₀ = 38.5 渭M) reporter gene assays. Compound 37 was able to diminish the production of the PQS precursor HHQ in a PqsH-deficient P. aeruginosa mutant. The level of the major virulence factor pyocyanin was significantly reduced in wild-type P. aeruginosa. In addition, site-directed mutagenesis in combination with isothermal titration calorimetry and NMR INPHARMA experiments revealed that the identified ligands bind to the same site of PqsR by adopting different binding modes. These findings might be utilized in a future fragment-growing approach aiming at novel therapeutic options for the treatment of P. aeruginosa infections. In the experiment, the researchers used many compounds, for example, 3-Cyanobenzoyl chloride (cas: 1711-11-1Computed Properties of C8H4ClNO).

3-Cyanobenzoyl chloride (cas: 1711-11-1) 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. Alkanes and aryl alkanes may be chlorinated under free radical conditions, with UV light. However, the extent of chlorination is difficult to control.Computed Properties of C8H4ClNO

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

Multi-functional multi-valency: a focused library of polymeric cholera toxin antagonists was written by Tran, Huu-Anh;Kitov, Pavel I.;Paszkiewicz, Eugenia;Sadowska, Joanna M.;Bundle, David R.. And the article was included in Organic & Biomolecular Chemistry in 2011.Recommanded Product: 3-Cyanobenzoyl chloride This article mentions the following:

Structural pre-organization of the multivalent ligands is important for successful interaction with multimeric proteins. Polymer-based hetero-bifunctional ligands that contain pendant groups prearranged into hetero-dimers can be used to probe the active site and surrounding area of the receptor. Here we describe the synthesis and activities of a series of galactose conjugates on polyacrylamide and dextran. Conjugation of a second fragment resulted in nano-molar inhibitors of cholera toxin, while the galactose-only progenitors showed no detectable activity. In the experiment, the researchers used many compounds, for example, 3-Cyanobenzoyl chloride (cas: 1711-11-1Recommanded Product: 3-Cyanobenzoyl chloride).

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

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

4-(1-Adamantylmethyl)-N-(2-chloro-9-isopropyl-9H-purin-6-yl)aniline was written by Rouchal, Michal;Necas, Marek;Vicha, Robert. And the article was included in Acta Crystallographica, Section E: Structure Reports Online in 2009.Quality Control of 2,6-Dichloro-9-isopropyl-9H-purine This article mentions the following:

The asym. unit of 4-(1-adamantylmethyl)-N-(2-chloro-9-isopropyl-9H-purin-6-yl)aniline, C₂₅H₃₀ClN₅, consists of 2 mols. with slightly different geometrical parameters. The dihedral angles between the purine and benzene rings are 39.54(5) and 23.69(5)掳 in the 2 mols. The adamantane cages consist of 3 fused cyclohexane rings in classical chair conformations, with C-C-C angles of 108(2)-111(2)掳. In the crystal, mols. are linked into dimers via 2 N-H路路路N H bonds. Crystallog. data are given. In the experiment, the researchers used many compounds, for example, 2,6-Dichloro-9-isopropyl-9H-purine (cas: 203436-45-7Quality Control of 2,6-Dichloro-9-isopropyl-9H-purine).

2,6-Dichloro-9-isopropyl-9H-purine (cas: 203436-45-7) 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. 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).Quality Control of 2,6-Dichloro-9-isopropyl-9H-purine

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

Borole/Borapyramidane Relationship was written by Sun, Qiu;Daniliuc, Constantin G.;Yu, Xiaoye;Mueck-Lichtenfeld, Christian;Kehr, Gerald;Erker, Gerhard. And the article was included in Journal of the American Chemical Society in 2022.SDS of cas: 76-83-5 This article mentions the following:

Boroles and borapyramidanes are classical and nonclassical constitutional isomers, resp. It is here shown that they can indeed be interconverted. Treatment of the bis(alkynyl)B(C₆F₅) SMe₂ adduct 3路SMe₂ with HB(C₆F₅)₂ gave borole 1路SMe₂, featuring trimethylsilyl substituents in both 伪 positions to B, by a 1,1-hydroboration/alkenylboration sequence. Photolysis of the classical borole adduct 1路SMe₂ resulted in rearrangement to its nonclassical structural isomer, borapyramidane 2, in high yield, which exhibits a vicinal pair of trimethylsilyl substituents at the square pyramidane base. Neutral borapyramidane 2 is a rare example of an isoster of the (CH)₅⁺ pyramidane cation. Thermolysis of borapyramidane 2 in the presence of SMe₂ at 60掳 re-formed borole 1路SMe₂, which converted at 100掳 to 2,3-bis-silyl-substituted borole isomer 8路SMe₂. Its photolysis also gave borapyramidane 2. Prolonged photolysis of 2 at elevated temperatures converted this to borapyramidane isomer 10 containing a pair of trimethylsilyl groups in 1,3-position at its square C₄-pyramidal base. The borole and borapyramidane isomers were characterized by x-ray diffraction, and the system was analyzed by d. functional theory (DFT) calculations In the experiment, the researchers used many compounds, for example, (Chloromethanetriyl)tribenzene (cas: 76-83-5SDS of cas: 76-83-5).

(Chloromethanetriyl)tribenzene (cas: 76-83-5) 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.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: 76-83-5

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

Unusual iron-platinum bonding in the cluster (diironhexacarbonyl)[(蟺-dicyclopentadiene)platinum] disulfide was written by Pasynskii, A. A.;Semenova, N. I.;Torubaev, Yu. V.;Lysenko, K. A.. And the article was included in Zhurnal Neorganicheskoi Khimii in 2001.Recommanded Product: 12083-92-0 This article mentions the following:

Transmetalation of (渭₃-S)₂Fe₃(CO)₉ with C₁₀H₁₂PtCl₂ (C₁₀H₁₂ = dicyclopentadiene) in THF gave 55% title cluster C₁₀H₁₂Pt(渭₃-S)₂Fe₂(CO)₆, the structure of which was determined by x-ray crystallog. The Pt atom is 蟺-coordinated with double bonds of the dicyclopentadiene mol. and with 2 渭₃-bridging S atoms and is in a square planar environment. The Fe(CO)₃ moieties show an Fe-Fe bond length of 2.515 脜. One of the Fe atoms forms an Fe-Pt bond of 3.03 脜 length with the Pt atom, and tilts the planarity of the Pt atom ligand environment toward itself. The role of the steric effects of interligand repulsion on Fe-Pt interaction is discussed. In the experiment, the researchers used many compounds, for example, Dichlorodi(cyclopenta-1,3-dien-1-yl)platinate(II) (cas: 12083-92-0Recommanded Product: 12083-92-0).

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

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

Limiting the Number of Potential Binding Modes by Introducing Symmetry into Ligands: Structure-Based Design of Inhibitors for Trypsin-Like Serine Proteases was written by Furtmann, Norbert;Haeussler, Daniela;Scheidt, Tamara;Stirnberg, Marit;Steinmetzer, Torsten;Bajorath, Juergen;Guetschow, Michael. And the article was included in Chemistry – A European Journal in 2016.Product Details of 1711-11-1 This article mentions the following:

In the absence of X-ray data, the exploration of compound binding modes continues to be a challenging task. For structure-based design, specific features of active sites in different targets play a major role in rationalizing ligand binding characteristics. For example, dibasic compounds have been reported as potent inhibitors of various trypsin-like serine proteases, the active sites of which contain several binding pockets that can be targeted by cationic moieties. This results in several possible orientations within the active site, complicating the binding mode prediction of such compounds by docking tools. Therefore, we introduced symmetry in bi- and tribasic compounds to reduce conformational space in docking calculations and to simplify binding mode selection by limiting the number of possible pocket occupations. Asym. bisbenzamidines were used as starting points for a multistage and structure-guided optimization. A series of 24 final compounds with either two or three benzamidine substructures was ultimately synthesized and evaluated as inhibitors of five serine proteases, leading to potent sym. inhibitors for the pharmaceutical drug targets matriptase, matriptase-2, thrombin and factor Xa. This study underlines the relevance of ligand symmetry for chem. biol. 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 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.Product Details of 1711-11-1

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

伪₂ Adrenoceptor Agonists as Potential Analgesic Agents. 3. Imidazolylmethylthiophenes was written by Boyd, Robert E.;Rasmussen, C. Royce;Press, Jeffery B.;Raffa, Robert B.;Codd, Ellen E.;Connelly, Charlene D.;Li, Quan S.;Martinez, Rebecca P.;Lewis, Martin A.;Almond, Harold R.;Reitz, Allen B.. And the article was included in Journal of Medicinal Chemistry in 2001.COA of Formula: C5H2Cl2O2S This article mentions the following:

A series of imidazolylmethylthiophenes has been prepared and evaluated as ligands for the 伪₂ adrenoceptor. These compounds were tested in two animal models that are predictive of analgesic activity in humans. The 3-thienyl compounds were generally the most potent, particularly those with substitution in the 4-position. A subset of the most active compounds was further evaluated for adverse cardiovascular effects in the anesthetized rat model. In addition to excellent binding at the 伪_2D adrenoceptor, the 4-bromo analogs I [R = H, Me] were very active in the rat abdominal irritant test (RAIT) with ED₅₀ doses of 0.38 and 0.31 mg/kg, resp. A pharmacophore model based on the biol. activity of the present series, dexmedetomidine and its conformationally restrained analogs was constructed. In the experiment, the researchers used many compounds, for example, 2,5-Dichlorothiophene-3-carboxylic acid (cas: 36157-41-2COA of Formula: C5H2Cl2O2S).

2,5-Dichlorothiophene-3-carboxylic acid (cas: 36157-41-2) 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 readily react with amines to give substituted amines. Alkyl chlorides are substituted by softer halides such as the iodide in the Finkelstein reaction.COA of Formula: C5H2Cl2O2S

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

Study on d⁰ Metal-Catalyzed Alkyl-Alkyl Cross-Coupling Enabled by a Redox-Active Ligand was written by Belli, Roman G.;Tafuri, Victoria C.;Joannou, Matthew V.;Roberts, Courtney C.. And the article was included in ACS Catalysis in 2022.SDS of cas: 76-83-5 This article mentions the following:

Herein, a redox-active ligand-enabled alkyl-alkyl cross-coupling using a d⁰ metal was described. This tris(amido) ScIII complex as well as the oxidized variant was thoroughly characterized (NMR, X-ray, EPR, CV, UV-vis, DFT). Insight into the likely radical nature of the mechanism is disclosed. Addnl., a substrate scope that includes functional groups incompatible with late-transition-metal catalysis and both coupling partners bearing 尾-hydrogens was reported. In the experiment, the researchers used many compounds, for example, (Chloromethanetriyl)tribenzene (cas: 76-83-5SDS of cas: 76-83-5).

(Chloromethanetriyl)tribenzene (cas: 76-83-5) 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. Aryl chlorides may be prepared by the Friedel-Crafts halogenation, using chlorine and a Lewis acid catalyst.SDS of cas: 76-83-5

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