Tag: M.W=200-250

Lipeeva, Alla V. published the artcileSynthesis of 1H-1,2,3-triazole linked aryl(arylamidomethyl) – dihydrofurocoumarin hybrids and analysis of their cytotoxicity, HPLC of Formula: 16909-09-4, the publication is European Journal of Medicinal Chemistry (2015), 119-128, database is CAplus and MEDLINE.

A series of 2-(4-R-triazolyl)substituted 3-oxo-2,3-dihydrofurocoumarins have been synthesized by a regioselective cycloaddition of 2-azidooreoselone I or 2-azido-9-[(4-methylpiperazin-1-yl)methyl]oreoselone II with various alkynes in the presence of Cu(II)/ascorbate in water/methylene chloride reaction medium. The structure of 2-azidooreoselone was established by X-ray structure anal. The cytotoxicity of 2-substituted dihydrofurocoumarins was determined against three cancer cell lines (CEM-13, MT-4, U-937) using the conventional MTT assays. Among the tested mols., most of the analogs displayed better cytotoxic activity than the parent natural furocoumarin peucedanin III. The activity and selectivity to the cell line increased even further in the series of 2-(4-{2,3-dihydrobenzo[b][1,4]dioxine}triazolyl)-3-oxo-2,3-dihydrofurocoumarins and 2-(4-aryltriazolyl)-3-oxo-2,3-dihydrofurocoumarins having the (4-methylpiperazin-1-ylmethyl) substituent in the 9-th position. The most active compound IV contain the 4-hydroxy-3-methoxybenzamidomethyl substituent in the 4-th position at the triazole ring of 2-(triazol-1-yl)dihydrofurocoumarins. The obtained 2-triazolyl substituted dihydrofurocoumarins were studied as inhibitors of phosphodiesterase (PDE-4B) using docking experiments As a result of virtual screening 3 compounds are selected based on min. binding energy. The interactions of the most active compound and amino acid residues in the binding site were studied.

European Journal of Medicinal Chemistry published new progress about 16909-09-4. 16909-09-4 belongs to catalysis-chemistry, auxiliary class Alkenyl,Carboxylic acid,Benzene,Ether, name is (E)-3-(2,4-Dimethoxyphenyl)acrylic acid, and the molecular formula is C11H12O4, HPLC of Formula: 16909-09-4.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Tong, Yu Ying published the artcileSyntheses and properties of the gold(I) complexes with bulky thiolates [Au(SR)]₆ and [Au(SR)(PPh₃)] (R = C₆H₂Me₃-2,4,6 or C₆H₂Pr₃ⁱ-2,4,6), and the molecular structure of [Au(SC₆H₂Pr₃ⁱ-2,4,6)(PPh₃)], Formula: C15H24S, the publication is Transition Metal Chemistry (London) (1995), 20(4), 372-5, database is CAplus.

[Au(SR)]₆ (R = C₆H₂Me₃-2,4,6 or C₆H₂Prⁱ₃-2,4,6) prepared by treatment of chloroauric acid in water with thiodiglycol followed by reaction with the appropriate thiol (HSR) in CHCl₃, can add PPh₃ in CH₂Cl₂ to give [Au(SR)(PPh₃)], which, alternatively, can be obtained from reaction of [AuCl(PPh₃)] in THF with HSR in the presence of KOH-EtOH. The mol. structure of [Au(SC₆H₂Prⁱ₃-2,4,6)(PPh₃)] was determined by x-ray diffraction anal.

Transition Metal Chemistry (London) published new progress about 22693-41-0. 22693-41-0 belongs to catalysis-chemistry, auxiliary class Other Functionalization Reagent, name is 2,4,6-Triisopropylbenzenethiol, and the molecular formula is C10H12F6N4O6PdS2, Formula: C15H24S.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Rosen, Tomer published the artcileZinc Complexes of Sequential Tetradentate Monoanionic Ligands in the Isoselective Polymerization of rac-Lactide, Product Details of C16H20N2, the publication is Chemistry – A European Journal (2016), 22(33), 11533-11536, database is CAplus and MEDLINE.

Zinc complexes of {ONNN}-type sequential tetradentate monoanionic ligands reacted with diethylzinc to give the mononuclear ethylzinc complexes. The benzyloxy complexes were formed readily and were found to be highly active as well as living/immortal catalysts for ring-opening polymerization of rac-lactic acid with a clear isospecific inclination. Chiral gas chromatog. anal. revealed a mild preference for a given lactide enantiomer by the chiral catalysts.

Chemistry – A European Journal published new progress about 140-28-3. 140-28-3 belongs to catalysis-chemistry, auxiliary class Benzenes, name is N1,N2-Dibenzylethane-1,2-diamine, and the molecular formula is C16H20N2, Product Details of C16H20N2.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Lu, Jun published the artcilePharmacokinetics, pharmacodynamics, and metabolism of triethylenetetramine in healthy human participants: an open-label trial, COA of Formula: C6H20Cl2N4, the publication is Journal of Clinical Pharmacology (2010), 50(6), 647-658, database is CAplus and MEDLINE.

The selective Cu^II-chelator, triethylenetetramine (TETA), is undergoing clin. trials for the treatment of heart failure in patients with diabetes. Recently, the authors showed that 2 acetylated metabolites, N₁-acetyltriethylenetetramine (MAT) and N₁,N₁₀-diacetyltriethylenetetramine (DAT), are formed in humans following oral TETA administration. Thus, it became necessary to determine whether the N-acetyltransferase (NAT) 2 phenotype has any effects on the pharmacol. properties and safety profile of TETA. Twelve fast and 12 slow NAT2-phenotype healthy participants were recruited. After oral drug administration, the authors collected plasma and urine samples, measured plasma concentrations of TETA and its 2 metabolites along with concomitant urinary copper concentrations, and performed safety tests. They present, for the first time, the complete 24-h pharmacokinetic profiles of TETA, MAT, and DAT in humans. There was no evidence for clear-cut differences in pharmacokinetic profiles between fast and slow acetylators. Pharmacodynamic anal. showed no significant differences in cupruresis between the 2 NAT2 phenotypes. Safety results were consistent with TETA being well tolerated, and no significant differences in safety profiles were observed between the 2 phenotypes. Based on these data, NAT2 phenotype does not affect TETA’s pharmacokinetic, pharmacodynamic, or safety profiles. TETA may be acetylated via an alternative mechanism, such as that catalyzed by spermidine/spermine N₁-acetyltransferase.

Journal of Clinical Pharmacology published new progress about 38260-01-4. 38260-01-4 belongs to catalysis-chemistry, auxiliary class Chelating Agents, name is N1,N1′-(Ethane-1,2-diyl)bis(ethane-1,2-diamine) dihydrochloride, and the molecular formula is C6H20Cl2N4, COA of Formula: C6H20Cl2N4.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Rolland, Herve published the artcileUse of tin derivatives for selective allylation and methylation of halophosphorus compounds, Application of Allyldiphenylphosphine oxide, the publication is Tetrahedron Letters (1992), 33(52), 8095-8, database is CAplus.

Palladium(0) catalyzed gem-dimethylation of hexachlorocyclotriphosphazene with tetramethylstannane is described as well as the high yield monoallylation of halophosphorus or -boron compounds by allyltrialkylstannanes under photolytic conditions.

Tetrahedron Letters published new progress about 4141-48-4. 4141-48-4 belongs to catalysis-chemistry, auxiliary class Aryl phosphine ligand,Mono-phosphine Ligands, name is Allyldiphenylphosphine oxide, and the molecular formula is C15H15OP, Application of Allyldiphenylphosphine oxide.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Blondiaux, Enguerrand published the artcileCarbon dioxide reduction to methylamines under metal-free conditions, COA of Formula: C14H23N, the publication is Angewandte Chemie, International Edition (2014), 53(45), 12186-12190, database is CAplus and MEDLINE.

The metal-free catalysts are reported for the methylation of amines with carbon dioxide. Proazaphosphatrane superbases prove to be highly active catalysts in the reductive functionalization of CO₂, in the presence of hydroboranes. The new methodol. enables the methylation of N-H bonds in a wide variety of amines, including secondary amines, with increased chemoselectivity.

Angewandte Chemie, International Edition published new progress about 2909-77-5. 2909-77-5 belongs to catalysis-chemistry, auxiliary class Amine,Benzene, name is 2,6-Diisopropyl-N,N-dimethylaniline, and the molecular formula is C14H23N, COA of Formula: C14H23N.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Olmstead, Marilyn M. published the artcileSynthesis and characterization of novel quasiaromatic zinc-sulfur aggregates and related zinc-oxygen complexes, Recommanded Product: 2,4,6-Triisopropylbenzenethiol, the publication is Journal of the American Chemical Society (1991), 113(9), 3379-85, database is CAplus.

The synthesis and structural characterization of several alkylzinc alkoxides, aryloxides, and thiolates, many of which have unusual structures, are described. The compounds were synthesized by the simple reaction of the zinc dialkyl, ZnR₂ (R = CH₂SiMe₃), with 1 equiv of an alc. or thiol to afford the products [RZnOR’]_n = 2, R’ = 2,6-(Me₂CH)₂C₆H₃ (I), 2,4,6-(Me₃C)₃C₆H₂ (II); n = 4, R’ = 1-adamantyl (III), CMe₃ (IV)] or [RZnSR”]_n [n = 2, R” = CPh₃ (V); n = 3, R” = 2,4,6-(Me₂CH)₃C₆H₂ (VI), 2,4,6-(Me₃C)₃C₆H₂ (VII)]. The aggregate [Zn₃{O(2,6-(Me₂CH)₂C₆H₃)}₄R₂] (VIII) was also obtained. All compounds were characterized by C and H elemental anal., by ¹H NMR spectroscopy, and, with the exception of IV (which was only partially structurally characterized), by x-ray crystallog. The main feature of interest in these compounds derives from their structures. For example, the trimers VI and VII possess flattened, almost planar, Zn₃S₃C₆ arrays and may be considered to be isoelectronic to the recently synthesized quasiarom. Al₃N₃C₆, Ge₃N₃C₃, or B₃P₃C₆ ring systems. In contrast, the antiarom. dimer, V possesses very pyramidal coordination at the S centers and little apparent delocalization. Attempts to crystallize a compound having a planar Zn₃O₃C₆ array analogous to VI and VII have not been successful to date. The reaction between ZnR₂ and HOR’ gave either dimers or tetramers that feature Zn₂O₂ or Zn₄O₄ cores as exemplified by compounds I–IV. An alkylzinc alkoxide product, VIII, featuring three zinc centers was obtained when the stoichiometry of the reactants was changed slightly. However, the product did not possess a six-membered-ring structure. Instead, an almost linear Zn₃ array, in which the zinc centers are linked by bridging -OR’ groups and each terminal zinc is also bound to one alkyl group, was obtained.

Journal of the American Chemical Society published new progress about 22693-41-0. 22693-41-0 belongs to catalysis-chemistry, auxiliary class Other Functionalization Reagent, name is 2,4,6-Triisopropylbenzenethiol, and the molecular formula is C15H24S, Recommanded Product: 2,4,6-Triisopropylbenzenethiol.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Rokade, Balaji V. published the artcileCopper-Catalyzed Decarboxylative Sulfonylation of ¦Á,¦Â-Unsaturated Carboxylic Acids, Related Products of catalysis-chemistry, the publication is Journal of Organic Chemistry (2014), 79(17), 8110-8117, database is CAplus and MEDLINE.

Copper-catalyzed, ligand-promoted decarboxylative coupling of readily available ¦Á,¦Â-unsaturated acids with sodium aryl sulfinates is presented. This method provides a new avenue for the synthesis of vinyl sulfones via a decarboxylative radical coupling strategy by employing a catalytic amount of Cu(ClO₄)₂¡¤6H₂O, TBHP in decane as an oxidant, and 1,10-phenanthroline as a ligand. The salient feature of this method is that it furnishes exclusively the (E)-isomer.

Journal of Organic Chemistry published new progress about 16909-09-4. 16909-09-4 belongs to catalysis-chemistry, auxiliary class Alkenyl,Carboxylic acid,Benzene,Ether, name is (E)-3-(2,4-Dimethoxyphenyl)acrylic acid, and the molecular formula is C11H12O4, Related Products of catalysis-chemistry.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Faller, J. W. published the artcileA new solvatochromic chelating agent, Quality Control of 1860-58-8, the publication is Analytica Chimica Acta (1965), 32(6), 586-9, database is CAplus.

cf. CA 59, 10744h; 62, 6597e. The preparations are described of a solvatochromic chelating agent, 2 – (4′-hydroxy-3′-methoxystyryl)-5-(8-hydroxy-5-quinaldylmethyl)-1-methyl-8-hydroxyquinolinium Cl (1 merocyanine) (I); I.H₂O m. 250¡ã (decomposition), by the piperidine catalyzed condensation of the N-Me derivative of bis(8-hydroxy-5-quinaldyl)methane with vanillin; and of a bifunctional chelating agent 5-(8-hydroxy-5-quinolylmethyl)-8-hydroxyquinaldine (II) (m. 219-20¡ã), following the methods of Fiedler (CA 57, 7227h) for similar compounds The effect of solvent polarity on the absorption spectra of I is shown. The principal maximum and the log ¦Å (molar absorptivities) of the following I solutions are: 0.1NHCl 325,414; 4.20, 4.46; 0.01N KOH 375, 478; 4.15, 4.50; 90% MeOH- 0.01N KOH 392, 514; 4.09, 4.57; 90% PrOH-, 397, 525; 4.13, 4.58; 90% iso-PrOH-, 400, 526; 4.15, 4.59; 90% Me₂CO-0.01N KOH 405, 530; 4.40, 4.66; PhCH₂OH (saturated with 0.01N KOH) 385, 545; 4.32, 4.06; CHCl₃ (saturated with 0.01N KOH) 389, 611; 4.74, 3.52; 30% C₅H₅N (III) -, 509; 4.58; 50% III -, 399, 527; 4.14, 4.57; 80% III-, 401, 530, 561; 4.38, 4.23, 4.23; 86% III-, 593; 3.95; 94% III-, 403, 605; 4.57, 3.91; and 98% III-0.01N KOH solvent, 609 m¦Ì; 3.89, resp. At low III concentrations, protons were removed only from the O atoms of the vanillylidene and 8-hydroxyquinaldyl groups, while at the higher (¡Ý80%) III concentrations the proton was also removed from the remaining OH. At pH 9, I formed red H₂O-insoluble, PhCH₂OH soluble chelates with Ni²⁺, Cu²⁺, Zn²⁺, Co²⁺, Mg²⁺, Al³⁺ and Fe³⁺; at pH 5, I gave orange compounds with Ni²⁺, Cu²⁺, Zn²⁺, and Co²⁺, with solubility similar to that of the red chelates. The PhCH₂OH/alk. aqueous I solubility ratio is ?60. The stoichiometric Cu-II₂ (containing 9.2% Cu) and Al-II₃ (containing 2.8% Al) were prepared as described by Hollingshead (Oxine and its Derivatives, London: Butterworths, 1954). The ir spectra of II, on KBr pellets, had OH and aromatic bands and strong maximum at 12.1, 12.8 and 14.1 ¦Ì. The principal uv maximum of II, and the resp. log ¦Å were: (in 0.1N HCl) 258, 4.94; 313, 3.62; 324, 3.61; and 371, 3.70; (in 0.1N NaOH) 258, 4.74; 344, 3.84; and 365 m¦Ì, 3.82.

Analytica Chimica Acta published new progress about 1860-58-8. 1860-58-8 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Ether, name is 2-(3-(Benzyloxy)phenyl)acetic acid, and the molecular formula is C15H14O3, Quality Control of 1860-58-8.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia

Roncaglioni, A. published the artcileBinary classification models for endocrine disrupter effects mediated through the estrogen receptor, Category: catalysis-chemistry, the publication is SAR and QSAR in Environmental Research (2008), 19(7-8), 697-733, database is CAplus and MEDLINE.

Endocrine disrupters (EDs) form an interesting field of application attracting great attention in the recent years. They represent a number of exogenous substances interfering with the function of the endocrine system, including the interfering with developmental processes. In particular EDs are mentioned as substances requiring a more detailed control and specific authorization within REACH, the new European legislation on chems., together with other groups of chems. of particular concern. QSAR represents a challenging method to approach data gap which is foreseen by REACH. The aim of this study was to provide an insight into the use of QSAR models to address ED effects mediated through the estrogen receptor (ER). New predictive models were derived to assess estrogenicity for a very large and heterogeneous dataset of chem. compounds QSAR binary classifiers were developed based on different data mining techniques such as classification trees, decision forest, fuzzy logic, neural networks and support vector machines. The focus was given to multiple endpoints to better characterize the effects of EDs evaluating both binding (RBA) and transcriptional activity (RA). A possible combination of the models was also explored. A very good accuracy was reached for both RA and RBA models (higher than 80%).

SAR and QSAR in Environmental Research published new progress about 457-68-1. 457-68-1 belongs to catalysis-chemistry, auxiliary class Fluoride,Benzene, name is Bis(4-fluorophenyl)methane, and the molecular formula is C13H10F2, Category: catalysis-chemistry.

Referemce:
https://courses.lumenlearning.com/boundless-chemistry/chapter/catalysis/,
Catalysis – Wikipedia