Month: December 2022

Hasanebrahimi, Gholamreza published the artcileExploring beneficial structural features of ionic surfactants for wettability alteration of carbonate rocks using QSPR modeling technique, Related Products of chlorides-buliding-blocks, the publication is Journal of Molecular Liquids (2017), 196-208, database is CAplus.

Surfactant induced wettability alteration of reservoir rocks is an efficient process that enhances oil recovery of carbonate reservoirs. Finding a suitable surfactant for such a process is an interesting challenge in petroleum industry. To this purpose, generating a database of surfactant properties would be a good idea but property measurement of hundreds of surfactants and then screening them is a highly time consuming and expensive method. Therefore, the application of a math. model for prediction of surfactant properties may well be so helpful for our purpose. Quant. structure-property relationship (QSPR) is a math. model that relates a specific property of materials to their structural characteristics. For the sake of QSPR modeling a dataset of 24 structurally different surfactants was created through the measurement of contact angles (as the most important surfactant characteristic in the wettability alteration process). Contact angle measurement was carried out through imaging a drop of n-decane as the model oil resting on a carbonate rock which has spent 2 days immersed in surfactant solution For this dataset a linear QSPR model of oil contact angle on carbonate rocks was derived using genetic algorithm based on multi-linear regression (GA-MLR) and verified by internal and external validation metrics. From a descriptive point of view, descriptors of the proposed model have a mechanistic interpretation and give an insight to the desired structural features enhancing wettability alteration ability of surfactants.

Journal of Molecular Liquids published new progress about 23616-79-7. 23616-79-7 belongs to chlorides-buliding-blocks, auxiliary class Phase Transfer Catalyst, name is N-Benzyl-N,N-dibutylbutan-1-aminium chloride, and the molecular formula is C19H34ClN, Related Products of chlorides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Fallah Fini, Mojtaba published the artcileExperimental and QSPR Studies on the Effect of Ionic Surfactants on n-Decane-Water Interfacial Tension, COA of Formula: C19H34ClN, the publication is Journal of Surfactants and Detergents (2012), 15(4), 477-484, database is CAplus.

A quant. structure property relationship approach was performed to find the relation between the surfactant structure and its effect on water-oil interfacial tension. As a result, a new database has been developed measuring the interfacial tension between n-decane as the model oil and different aqueous solutions of some ionic compounds In spite of other reports we selected surfactants by a scientific method that covers all structural information. Twenty four different compounds were selected by the principal component anal. method and their interfacial tensions were measured at their critical micelle concentrations The geometrical optimization of surfactants was performed at the B3LYP/6-311G** level and quantum chem. and structural descriptors were calculated using relevant computer software programs. The best fitted descriptors were selected using the variable selection of the genetic algorithm (GA-MLR). The predictive test was performed for an external prediction set of 6 compounds, chosen out of 24 compounds The resulted GA-MLR model can reasonably predict the interfacial tension using only three selected descriptors. The deviation between predicted and measured values was found to be <7%.

Journal of Surfactants and Detergents published new progress about 23616-79-7. 23616-79-7 belongs to chlorides-buliding-blocks, auxiliary class Phase Transfer Catalyst, name is N-Benzyl-N,N-dibutylbutan-1-aminium chloride, and the molecular formula is C19H34ClN, COA of Formula: C19H34ClN.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Schlapbach, Achim published the artcileN-aryl-piperidine-4-carboxamides as a novel class of potent inhibitors of MALT1 proteolytic activity, Formula: C6H3ClFNO2, the publication is Bioorganic & Medicinal Chemistry Letters (2018), 28(12), 2153-2158, database is CAplus and MEDLINE.

Starting from a weak screening hit, potent and selective inhibitors of the MALT1 protease function were elaborated. Advanced compounds displayed high potency in biochem. and cellular assays. Compounds showed activity in a mechanistic Jurkat T cell activation assay as well as in the B-cell lymphoma line OCI-Ly3, which suggests potential use of MALT1 inhibitors in the treatment of autoimmune diseases as well as B-cell lymphomas with a dysregulated NF-κB pathway. Initially, rat pharmacokinetic properties of this compound series were dominated by very high clearance which could be linked to amide cleavage. Using a rat hepatocyte assay a good in vitro-in vivo correlation could be established which led to the identification of compounds with improved PK properties.

Bioorganic & Medicinal Chemistry Letters published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, Formula: C6H3ClFNO2.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Madhura, V. published the artcileA new route for the synthesis of 4-arylacetamido-2-aminothiazoles and their biological evaluation, Related Products of chlorides-buliding-blocks, the publication is Zeitschrift fuer Naturforschung, B: A Journal of Chemical Sciences (2015), 70(7), 483-489, database is CAplus.

A series of 2-(2-amino-1,3-thiazol-4-yl)-N-phenylacetamides I [R = H, C₆H₅, 4-MeC₆H₄, etc.; R¹ = H, 2-Me, 3-Cl, 4-Cl] was synthesized in high yields via a single step reaction of ω-bromoacetoacetanilides and thiourea/phenyl thioureas. These synthesized thiazoles I were evaluated for their in vitro antibacterial, antifungal and antioxidant activities. In vitro antimicrobial evaluation of these compounds indicated their specificity towards Gram-pos. species such as S. aureus and E. faecalis. Among the tested compounds, thiazole derivatives I [R = 4-MeC₆H₄, R¹ = H; R = 3-ClC₆H₄, R¹ = H] exhibited the lowest min. inhibitory concentration values against S. aureus and E. faecalis whereas thiazole I [R = 4-MeC₆H₄; R¹ = 4-Cl] showed maximum antioxidant activity. The other compounds exhibited promising antimicrobial and moderate antioxidant activity.

Zeitschrift fuer Naturforschung, B: A Journal of Chemical Sciences published new progress about 3696-23-9. 3696-23-9 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Thiourea,Amine,Benzene,Amide, name is 1-(4-Chlorophenyl)thiourea, and the molecular formula is C7H7ClN2S, Related Products of chlorides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Davtyan, Lena published the artcileTechnological aspects of dental medical films with chlorhexidine and decamethoxine, Related Products of chlorides-buliding-blocks, the publication is International Journal of Pharmacy and Technology (2015), 7(1), 8166-8173, database is CAplus.

The importance of polymers in medicine and technol. requires need for a detailed study of the properties not only of the polymer itself but also its interaction with organic solvents, water, plasticizers and others. In most cases, these same fluids themselves are solvents for the polymer therefore this interaction should be considered as the basis for polymer processing solutions through films.

International Journal of Pharmacy and Technology published new progress about 38146-42-8. 38146-42-8 belongs to chlorides-buliding-blocks, auxiliary class Achiral Phase-Transfer Catalysts, name is N1,N10-Bis(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-N1,N1,N10,N10-tetramethyldecane-1,10-diaminium chloride, and the molecular formula is C38H74Cl2N2O4, Related Products of chlorides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Arvanitis, Argyrios G. published the artcileImidazo[4,5-c]pyridines as corticotropin releasing factor receptor ligands, SDS of cas: 209919-30-2, the publication is Bioorganic & Medicinal Chemistry Letters (2003), 13(1), 129-131, database is CAplus and MEDLINE.

A series of high affinity CRF receptor ligands, e.g., I, with an imidazo[4,5-c]pyridine core is described. Individual analogs were synthesized and tested in vitro in rat brain receptors to determine binding affinity. I was further tested in the dog N-in-1 pharmacokinetic model to assess oral bioavailability at 1 mg/kg po.

Bioorganic & Medicinal Chemistry Letters published new progress about 209919-30-2. 209919-30-2 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Boronic acid and ester,Benzene,Boronic Acids,Boronic acid and ester, name is 4-Chloro-2-methylphenylboronic acid, and the molecular formula is C7H8BClO2, SDS of cas: 209919-30-2.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Amata, Emanuele published the artcile(+)-Methyl (1R,2S)-2-{[4-(4-Chlorophenyl)-4-hydroxypiperidin-1-yl]methyl}-1-phenylcyclopropanecarboxylate [(+)-MR200] Derivatives as Potent and Selective Sigma Receptor Ligands: Stereochemistry and Pharmacological Properties, Recommanded Product: ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride, the publication is Journal of Medicinal Chemistry (2018), 61(1), 372-384, database is CAplus and MEDLINE.

Methoxycarbonyl-1-phenyl-2-cyclopropylmethyl based derivatives [cis-(+)-MR200], [cis-(-)-MR201], and [trans-(±)-MR204], have been identified as new potent sigma (σ) receptor ligands. In the present paper, novel enantiomerically pure analogs were synthesized and optimized for their σ receptor affinity and selectivity. Docking studies rationalized the results obtained in the radioligand binding assay. Absolute stereochem. was unequivocally established by X-ray anal. of a precursor as camphorsulfonyl derivative The most promising compound, I, showed remarkable selectivity over a panel of more than 15 receptors as well as good chem. and enzymic stability in human plasma. An in vivo evaluation evidenced that I, in contrast to its isomers, which behave as σ₁ antagonists, exhibited a σ₁ agonist profile. These data clearly demonstrated that compound I, due to its σ₁ agonist activity and favorable receptor selectivity and stability, provided an useful tool for the study of σ₁ receptors.

Journal of Medicinal Chemistry published new progress about 21286-54-4. 21286-54-4 belongs to chlorides-buliding-blocks, auxiliary class Chiral,Chloride,Sulfonyl chlorides,Aliphatic cyclic hydrocarbon,Ketone, name is ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride, and the molecular formula is C10H15ClO3S, Recommanded Product: ((1S,4R)-7,7-Dimethyl-2-oxobicyclo[2.2.1]heptan-1-yl)methanesulfonyl chloride.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Egorov, V. V. published the artcileDetermination of cationic surface-active antiseptics by ion-selective electrodes, Formula: C38H74Cl2N2O4, the publication is Journal of Analytical Chemistry (Translation of Zhurnal Analiticheskoi Khimii) (1996), 51(10), 986-988, database is CAplus.

It is shown that low concentrations of surface-active antiseptics can be determined by potentiometric precipitation titration with sodium tetraphenylborate (in the case of cetylpyridinium chloride, chlorhexidine bigluconate, and decamethoxin) or with sodium picrate (in the case of ethonium) in solutions of inorganic salts with the use of ion-selective electrodes for detecting the equivalence point.

Journal of Analytical Chemistry (Translation of Zhurnal Analiticheskoi Khimii) published new progress about 38146-42-8. 38146-42-8 belongs to chlorides-buliding-blocks, auxiliary class Achiral Phase-Transfer Catalysts, name is N1,N10-Bis(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-N1,N1,N10,N10-tetramethyldecane-1,10-diaminium chloride, and the molecular formula is C38H74Cl2N2O4, Formula: C38H74Cl2N2O4.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Grob, C. A. published the artcileThe nature of the inductive effect, Category: chlorides-buliding-blocks, the publication is Chemistry & Industry (London, United Kingdom) (1955), 1222-3, database is CAplus.

The acidity constants of the α-, β-, and γ-betaine hydrochlorides (ClMe₃N(CH₂)_nCO₂H, where n = 1, 2, and 3, resp.); of the 2-, 3-, and 4-carboxylic acids of N,N-dimethylpiperidinium chloride; and of the 2-, 3-, and 4-carboxylic acids of N-methylquinuclidinium chloride were measured. The magnitude of the acid-strengthening effect decreased proportionally to direct distance rather than to chain length. The so-called general inductive effect appears as a function of the direct distance between electrostatically interacting groups and the dielec. constant of the intervening medium, which can be a chain of atoms, solvent, or empty space, according to the geometry of the system.

Chemistry & Industry (London, United Kingdom) published new progress about 6249-56-5. 6249-56-5 belongs to chlorides-buliding-blocks, auxiliary class Phase Transfer Catalyst,Inhibitor,Natural product, name is 3-Carboxy-N,N,N-trimethylpropan-1-aminium chloride, and the molecular formula is C7H16ClNO2, Category: chlorides-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics

Akintola, Oluwafemi published the artcileIntrinsic Nucleophilicity of Inverting and Retaining Glycoside Hydrolases Revealed Using Carbasugar Glyco-Tools, Recommanded Product: 3-Chloro-4-fluoronitrobenzene, the publication is ACS Catalysis (2021), 11(15), 9377-9389, database is CAplus.

Hydrolyzes of cyclohexenyl-based carbasugars that mimic either α-D-glucose or α-D-galactose were explored with two Bacteroides thetaiotaomicron enzymes from glycoside hydrolase family 97: an inverting α-glucosidase (BtGH97a) and a retaining α-galactosidase (BtGH97b). Specifically, the kinetic data for the inverting α-glucosidase is consistent with the reaction giving a hydrolyzed inverted carbaglucose product by a mechanism that proceeds with little nucleophilic participation by the bound water mol. at the reaction transition state. The enzymic rate constant ratio for the Ph carbasugars contrasts with the corresponding kinetic data obtained using natural substrate Ph glycopyranosides. This modest difference in rate constants underscores our conclusion that retaining glycoside hydrolases may not have optimized the nucleophilicity of their active site nucleophiles with the result that the transition state free energies for formation and hydrolysis of the covalent enzyme intermediate are matched.

ACS Catalysis published new progress about 350-30-1. 350-30-1 belongs to chlorides-buliding-blocks, auxiliary class Fluoride,Chloride,Nitro Compound,Benzene, name is 3-Chloro-4-fluoronitrobenzene, and the molecular formula is C6H3ClFNO2, Recommanded Product: 3-Chloro-4-fluoronitrobenzene.

Referemce:
https://en.wikipedia.org/wiki/Chloride,
Chlorides – an overview | ScienceDirect Topics