Month: December 2022

Rotroff, Daniel M. published the artcilePredictive Endocrine Testing in the 21st Century Using in Vitro Assays of Estrogen Receptor Signaling Responses, Recommanded Product: Sodium chloro(tosyl)amide trihydrate, the publication is Environmental Science & Technology (2014), 48(15), 8706-8716, database is CAplus and MEDLINE.

Thousands of environmental chems. are subject to regulatory review for their potential to be endocrine disruptors (ED). In vitro high-throughput screening (HTS) assays have emerged as a potential tool for prioritizing chems. for ED-related whole-animal tests. In this study, 1814 chems. including pesticide active and inert ingredients, industrial chems., food additives, and pharmaceuticals were evaluated in a panel of 13 in vitro HTS assays. The panel of in vitro assays interrogated multiple end points related to estrogen receptor (ER) signaling, namely binding, agonist, antagonist, and cell growth responses. The results from the in vitro assays were used to create an ER Interaction Score. For 36 reference chems., an ER Interaction Score >0 showed 100% sensitivity and 87.5% specificity for classifying potential ER activity. The magnitude of the ER Interaction Score was significantly related to the potency classification of the reference chems. ERα/ERβ selectivity was also evaluated, but relatively few chems. showed significant selectivity for a specific isoform. When applied to a broader set of chems. with in vivo uterotrophic data, the ER Interaction Scores showed 91% sensitivity and 65% specificity. Overall, this study provides a novel method for combining in vitro concentration response data from multiple assays and, when applied to a large set of ER data, accurately predicted estrogenic responses and demonstrated its utility for chem. prioritization.

Environmental Science & Technology published new progress about 7080-50-4. 7080-50-4 belongs to chlorides-buliding-blocks, auxiliary class Halogenation Reagent,Inhibitor, name is Sodium chloro(tosyl)amide trihydrate, and the molecular formula is C7H13ClNNaO5S, Recommanded Product: Sodium chloro(tosyl)amide trihydrate.

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

Ioannidou, Heraklidia A. published the artcileThree-Step Synthesis of Ethyl Canthinone-1-carboxylates from Ethyl 4-Bromo-6-methoxy-1,5-naphthyridine-3-carboxylate via a Pd-Catalyzed Suzuki-Miyaura Coupling and a Cu-Catalyzed Amidation Reaction, COA of Formula: C7H8BClO2, the publication is Journal of Organic Chemistry (2011), 76(12), 5113-5122, database is CAplus and MEDLINE.

Et canthin-6-one-1-carboxylate (I) and nine analogs were prepared from readily prepared Et 4-bromo-6-methoxy-1,5-naphthyridine-3-carboxylate via a three-step non-classical approach that focused on construction of the central pyrrole (ring B) using Pd-catalyzed Suzuki-Miyaura coupling followed by Cu-catalyzed C-N coupling. Furthermore, treatment of I with NaOH in DCM/MeOH (9:1) gave the canthin-6-one-1-carboxylic acid in high yield. All compounds are fully characterized.

Journal of Organic Chemistry published new progress about 145349-62-8. 145349-62-8 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Boronic acid and ester,Benzene,Boronic Acids, name is 2-Chloro-4-methylphenylboronic acid, and the molecular formula is C7H8BClO2, COA of Formula: C7H8BClO2.

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

Lochmuller, C. H. published the artcileAn examination of chemically modified silica surfaces using fluorescence spectroscopy, Quality Control of 14799-93-0, the publication is Analytica Chimica Acta (1981), 130(1), 31-43, database is CAplus.

Aminated microparticulate silica gel was derivatized with the fluorescent tag, dansyl chloride, to produce a chem.-modified silica surface that could be examined by fluorescence spectroscopy; also a dansylated silica was further derivatized with various alkyl functionalities. The labeled silicas were introduced into solvents and solvent mixtures of different polarities and the emission spectra obtained were compared with the spectra of a model compound, n-propyldansylamide, in the same solvents. Residual amine groups, as well as unreacted silanol groups, produce a polar surface environment reflected in the emission maximum of the spectrum of the modified silica. The degree of residual surface polarity also appears to be a function of the aminopropylsilane reagents used.

Analytica Chimica Acta published new progress about 14799-93-0. 14799-93-0 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Dichloro(methyl)(octyl)silane, and the molecular formula is C9H20Cl2Si, Quality Control of 14799-93-0.

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

Seyferth, Dietmar published the artcileHalomethyl-metal compounds. LXIII. Diethyl lithiodichloromethylphosphonate and tetraethyl lithiochloromethylenediphosphonate, Safety of Diethyltrichloromethylphosphonate, the publication is Journal of Organometallic Chemistry (1973), 237-45, database is CAplus.

The action of BuLi-THF at low temperature on (EtO)2P(O)CCl3 and (EtO)2P(O)CCl2P(O)(OEt)2 gave LiCCl2P(O)(OEt)2 and [(EtO)2(O)P]2CClLi, resp. Their hydrolysis, coupling reactions with di-Me sulfate, allyl bromide and ClMe3Si and their use in the synthesis of chloroolefins are described.

Journal of Organometallic Chemistry published new progress about 866-23-9. 866-23-9 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Diethyltrichloromethylphosphonate, and the molecular formula is C8H13NO3, Safety of Diethyltrichloromethylphosphonate.

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

Klages, Uwe published the artcileDegradation of 4-chlorophenylacetic acid by a Pseudomonas species, Recommanded Product: 3-Chloro-4-hydroxyphenylacetic acid, the publication is Journal of Bacteriology (1981), 146(1), 64-8, database is CAplus and MEDLINE.

Pseudomonas Strain CBS3 utilized 4-chlorophenylacetic acid as the sole source of C and energy. When this strain was grown with 4-chlorophenylacetic acid, homoprotocatechuic acid was an intermediate that was further metabolized by the meta cleavage pathway. Furthermore, 3 isomers of chlorohydroxyphenylacetic acid, 2 of them identified as 3-chloro-4-hydroxyphenylacetic acid and 4-chloro-3-hydroxyphenylacetic acid, were isolated from the culture medium. 4-Hydroxyphenylacetic acid was catabolized in a different manner by the glutathione-dependent homogentisate pathway. Degradation enzymes of both of these pathways were inducible.

Journal of Bacteriology published new progress about 33697-81-3. 33697-81-3 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Carboxylic acid,Benzene,Phenol, name is 3-Chloro-4-hydroxyphenylacetic acid, and the molecular formula is C8H7ClO3, Recommanded Product: 3-Chloro-4-hydroxyphenylacetic acid.

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

Lopushanskaya, A. I. published the artcilePeriodic phenomena during cadmium electroplating in the presence of bis-quaternary ammonium salts, COA of Formula: C38H74Cl2N2O4, the publication is Elektrokhimiya (1976), 12(10), 1528-32, database is CAplus.

Oscillation of c.d. was studied during electroplating of Cd from H2SO4 solutions in the presence of bisquaternary ammonium salts under potentiostatic and galvanostatic conditions. The 2 salts studied were 1,10-bis(2-diphenylmethoxyethyldimethylammoniumacetoxy)decane dichloride [34318-49-5] and dichloride of tetramethylbis(5-isopropyl-2-methylcyclohexyloxycarbonylmethyl)decamethylenediamine (decamethoxin) [38146-42-8]. A correlation was established between the concentrations of these salts at which the oscillation of c.d. disappears, their critical concentrations of micelle formation, and the minimal quantities necessary for obtaining quality electroplates.

Elektrokhimiya 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, COA of Formula: C38H74Cl2N2O4.

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

Lashkhi, V. L. published the artcileMicrocalorimetric study of the adsorption of additives for oils on metal, Computed Properties of 866-23-9, the publication is Neftekhimiya (1974), 14(3), 491-4, database is CAplus.

The adsorption heat, included in some formulas determining the wear, was determined by microcalorimetry, using cyclohexane as carrier liquid and solvent. The higher adsorption heat (≥2) prevailed for Sulfol [[CCl3(CH2)4]2S] [14146-66-8], CCl3(CH2)6P(O)(OEt)2 [53280-04-9], and DF-1 (Ba O,O-dialkyl dithiophosphate) [39360-55-9], while the lower one (≤1) for: MeP(O)(OEt)2 [683-08-9], PhP(O)(OEt2) [1754-49-0], and Zn O,O-diisobutyl O,O-diisooctyl dithiophosphate [54244-07-4]. The antiwear properties of the additives increased with increase of the heat of their adsorption on the metal, according to tests by the frictional machine at low contact loads.

Neftekhimiya published new progress about 866-23-9. 866-23-9 belongs to chlorides-buliding-blocks, auxiliary class Aliphatic Chain, name is Diethyltrichloromethylphosphonate, and the molecular formula is C5H10Cl3O3P, Computed Properties of 866-23-9.

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

Zeiger, Errol published the artcileThe Proportions of Mutagens among Chemicals in Commerce, Product Details of C5H13Cl2N, the publication is Regulatory Toxicology and Pharmacology (2000), 32(2), 219-225, database is CAplus and MEDLINE.

It has been estimated that there are approx. 80,000 chems. in commerce. Thus, it is not possible to test all these substances for mutagenicity and carcinogenicity; it is possible, however, to test or make estimates from selected subsets of these chems. For example, in the U.S. National Toxicol. Program (NTP), 35% of the chems. tested for mutagenicity in Salmonella were pos., as were 52% of the chems. tested for carcinogenicity in rodents. In contrast, in the U.S. EPA Gene-Tox database, the proportions of chems. that are Salmonella mutagens is 56%. These and other databases may be biased toward pos. responses because they generally have been developed to look at specific structural or use classes of chems. or chems. suspected of genetic or carcinogenic activity. To address the question of the proportions of mutagens among all chems. in commerce, a database of 100 chems. was created from a random selection of chems. in commerce. These chems. were tested for mutagenicity in Salmonella and 22% were mutagenic. The mutagenicity of the 46 highest U.S. production organic chems. was also compiled; 20% were mutagenic. These values provide a more accurate estimate of the proportions of mutagens among chems. in commerce than can be derived from published mutagenicity databases. (c) 2000 Academic Press.

Regulatory Toxicology and Pharmacology published new progress about 4584-49-0. 4584-49-0 belongs to chlorides-buliding-blocks, auxiliary class Chloride,Salt,Amine,Aliphatic hydrocarbon chain, name is 2-Chloro-N,N-dimethylpropan-1-amine hydrochloride, and the molecular formula is C6H4KNO6S, Product Details of C5H13Cl2N.

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

Aliyeva, R. A. published the artcileSpectrophotometric investigation of complex formation of germanium(IV) with 2,2′,3,4-tetrahydroxy-3′-sulfo-5′-chloroazobenzene in the presence of cationic surfactants, Application of N1,N10-Bis(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-N1,N1,N10,N10-tetramethyldecane-1,10-diaminium chloride, the publication is Azerbaidzhanskii Khimicheskii Zhurnal (2013), 37-41, database is CAplus.

Complexation of germanium(IV) with 5-chloro-2-hydroxy-3-(2,3,4-trihydroxyphenylazo)benzenesulfonic acid, 2,3,4-(HO)₃C₆H₂N:NC₆H₂-5-Cl-2-OH-3-SO₃H (H₆Q) in the presence of cationic surfactants (CS), C₁₆H₃₃PyBr, C₁₆H₃₃PyCl, C₁₆H₃₃NMe₃Br and decamethoxine was studied by spectrophotometric titration The surfactants form stable ion associates with the H₆Q and germanium in solutions Germanium in the presence of surfactants produces colored ternary complexes with a ratio of Ge(IV):H₆Q:CS = 1:2:2. The effect of pH, time, temperature and concentration of the reactants on the formation of mixed-ligand complexes has been studied. Highly-sensitive photometric determination of microquantities of germanium in natural objects with use of H₆Q as an anal. reagent is demonstrated.

Azerbaidzhanskii Khimicheskii Zhurnal 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, Application of N1,N10-Bis(2-((2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-N1,N1,N10,N10-tetramethyldecane-1,10-diaminium chloride.

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

Miranda, Alexandre S. published the artcileDihomooxacalix[4]arene-based fluorescent receptors for anion and organic ion pair recognition, Quality Control of 6249-56-5, the publication is Molecules (2020), 25(20), 4708, database is CAplus and MEDLINE.

Fluorescent dihomooxacalix[4]arene-based receptors 5a-5c, bearing two naphthyl(thio)ureido groups at the lower rim via a Bu spacer, were synthesized and obtained in the cone conformation in solution The X-ray crystal structures of 1,3-(5a) and 3,4-dinaphthylurea (5b) derivatives are reported. Their binding properties towards several anions of different geometries were assessed by 1H-NMR, UV-Vis absorption and fluorescence titrations Structural and energetic insights of the naphthylurea 5a and 5b complexes were also obtained using quantum mech. calculations The data showed that all receptors follow the same trend, the association constants increase with the anion basicity, and the strongest complexes were obtained with F^–, followed by the oxoanions AcO^– and BzO^–. Proximal urea 5b is a better anion receptor compared to distal urea 5a, and both are more efficient than thiourea 5c. Compounds 5a and 5b were also investigated as heteroditopic receptors for biol. relevant alkylammonium salts, such as the neurotransmitter γ-aminobutyric acid (GABA·HCl) and the betaine deoxycarnitine·HCl. Chiral recognition towards the guest sec-butylamine·HCl was also tested, and a 5:2 selectivity for (R)-sec-BuNH₃⁺·Cl^– towards (P) or (M) enantiomers of the inherently chiral receptor 5a was shown. Based on DFT calculations, the complex [(S)-sec-BuNH₃⁺·Cl^–/(M)-5a] was indicated as the more stable.

Molecules 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, Quality Control of 6249-56-5.

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