Month: November 2022

Bhagat, Ujjawal Kumar published the artcileDABCO-mediated aza-Michael addition of 4-aryl-1H-1,2,3-triazoles to cycloalkenones. Regioselective synthesis of disubstituted 1,2,3-triazoles, Computed Properties of 4230-93-7, the publication is Tetrahedron Letters (2017), 58(4), 298-301, database is CAplus.

Aza-Michael addition of 4-aryl-1H-1,2,3-triazoles to 2-cycloalken-1-ones was studied in the presence of DABCO as organic base. The reactions were carried out in acetonitrile at room temperature to provide 2,4-disubstituted 2H-1,2,3-triazoles I [R = H, Me; Ar = C₆H₅, 4-MeC₆H₄, 2-MeO-1-naphthyl, etc.; n = 1] as major adducts and 1,4-disubstituted 1H-1,2,3-triazoles II [n = 0] as minor adducts. Though the reaction times are longer (4-8 days), the two regioisomers were separated by using column chromatog. and the adducts were obtained in very good to excellent combined chem. yields. The electron-rich and electron-poor substituents on aryl moiety of 4-aryl-triazoles could tolerate the reaction conditions to afford the title adducts.

Tetrahedron Letters published new progress about 4230-93-7. 4230-93-7 belongs to catalysis-chemistry, auxiliary class Alkenyl,Nitro Compound,Benzene,Ether, name is 1,2-Dimethoxy-4-(2-nitrovinyl)benzene, and the molecular formula is C10H11NO4, Computed Properties of 4230-93-7.

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

Evoy, Erin published the artcileUnified Description of Diffusion Coefficients from Small to Large Molecules in Organic-Water Mixtures, Safety of 5,9-Diaminobenzo[a]phenoxazin-7-ium acetate, the publication is Journal of Physical Chemistry A (2020), 124(11), 2301-2308, database is CAplus and MEDLINE.

Diffusion coefficients in mixtures of organic mols. and water are needed for many applications, ranging from the environmental modeling of pollutant transport, air quality, and climate, to improving the stability of foods, biomols., and pharmaceutical agents for longer use and storage. The Stokes-Einstein relation has been successful for predicting diffusion coefficients of large mols. in organic-water mixtures from viscosity, yet it routinely underpredicts, by orders of magnitude, the diffusion coefficients of small mols. in organic-water mixtures Herein, a unified description of diffusion coefficients of large and small mols. in organic-water mixtures, based on the fractional Stokes-Einstein relation, is presented. A fractional Stokes-Einstein relation is able to describe 98% of the observed diffusion coefficients from small to large mols., roughly within the uncertainties of the measurements. The data set used in the anal. includes a wide range of radii of diffusing mols., viscosities, and intermol. interactions. As a case study, we show that the degradation of polycyclic aromatic hydrocarbons (PAHs) by O₃ within organic-water particles in the planetary boundary layer is relatively short (?1 day) when the viscosity of the particle is ?10² Pa s. We also show that the degradation times predicted using the Stokes-Einstein relation and the fractional Stokes-Einstein relation can differ by up to a factor of 10 in this region of the atm.

Journal of Physical Chemistry A published new progress about 10510-54-0. 10510-54-0 belongs to catalysis-chemistry, auxiliary class Other Aromatic Heterocyclic,Salt,Amine,Inhibitor,Inhibitor, name is 5,9-Diaminobenzo[a]phenoxazin-7-ium acetate, and the molecular formula is C18H15N3O3, Safety of 5,9-Diaminobenzo[a]phenoxazin-7-ium acetate.

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

Nakao, Keisuke published the artcileSynthesis of Hexaazatriphenylene Charge-Transfer Complexes and Their Application in Cathode Active Materials for Lithium-Ion Batteries, Quality Control of 191-07-1, the publication is Crystal Growth & Design (2022), 22(1), 26-31, database is CAplus.

A rational strategy for constructing a packing structure with diffusion paths for lithium ions is a critical requirement in the development of organic cathode active materials. Charge-transfer (CT) complexes with columnar structures are prospective materials in this regard because the voids between the columns can serve as diffusion paths for lithium ions. In this study, four CT complexes with columnar structures were synthesized by utilizing the ¦Ð-¦Ð interactions between an electron acceptor, namely, 2,3,6,7,10,11-hexacyano-1,4,5,8,9,12-hexaazatriphenylene (HAT-CN), and various electron donors (i.e., coronene, pyrene, anthracene, and carbazole). The structures of these complexes were determined by single-crystal X-ray diffraction measurements, and their suitability for use as cathode-active materials in lithium-ion batteries was evaluated. The CT complex composed of HAT-CN and coronene (CT-2) showed a high capacity (163.6 mAh g^-1 at a c.d. of 100 mA g^-1 in the first cycle), which was attributed to the strong aromatic interactions producing a stable columnar structure.

Crystal Growth & Design published new progress about 191-07-1. 191-07-1 belongs to catalysis-chemistry, auxiliary class Electronic Materials, name is Coronene, and the molecular formula is C24H12, Quality Control of 191-07-1.

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

Bhattacharyya, Bagmita published the artcilePhosphonate functionalized N-heterocyclic carbene Pd(II) complexes as efficient catalysts for Suzuki-Miyaura cross coupling reaction, SDS of cas: 613-33-2, the publication is Journal of Organometallic Chemistry (2021), 122067, database is CAplus.

A N-heterocyclic carbene (NHC) ligand, L₁ bearing a pendant phosphonate ester group is used to prepare two new NHC-Pd(II) complexes, [Pd(L₁)₂I₂] (1) and [Pd(L₁)(py)I₂] (2) (py = pyridine). Hydrolysis of phosphonate ester group in 2 results another Pd(II)-NHC complex, [Pd(L₂)(py)I₂] (3) where a phosphonic acid group is attached to the NHC ligand L₂. All the three complexes are characterized by anal. and spectroscopic studies while the mol. structures of 1–2 are also determined by single crystal X-ray diffraction measurement. The catalytic efficacies of 1–3 in Suzuki-Miyaura cross coupling reactions of aryl halides and aryl boronic acid are investigated. DFT calculations were performed to decipher the role phosphonate ester or phosphonic acid substituents on the catalytic efficacy.

Journal of Organometallic Chemistry published new progress about 613-33-2. 613-33-2 belongs to catalysis-chemistry, auxiliary class Benzene, name is 4,4′-Dimethyldiphenyl, and the molecular formula is C14H14, SDS of cas: 613-33-2.

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

Koehling, Jonas published the artcileOxamates as 1,2-Diketone Equivalents: The Effect of Fluorine, HPLC of Formula: 421-49-8, the publication is ChemistrySelect (2021), 6(8), 1882-1886, database is CAplus.

In this paper, new fluorinated derivatives were presented, which were synthesized from selected fluorinated primary amines R^FNH₂ (R^F=CH₂CF₃, CH₂CHF₂, CH₂CF₂CH₃, CH(CF₃)₂, CH(CH₃)CF₃) or their hydrochlorides and Et oxalylchloride. Since oxamates was considered as 1,2 diketones, their properties, geometries, effective charges at oxygen and nitrogen and the pK_a values for the N-H grouping were investigated . In two cases, the mol. structures was measured by XRD, observing almost planar arrangement of C₂-N₁-C₃-C₄ atoms. The effect of fluorine was discussed and compared with non-fluorinated oxamates. The effective charges were controlled by various alkyl substituents at nitrogen (branched or straight, fluorinated or non-fluorinated) and can open a new field, especially when fluorinated, for multiple applications in material sciences (surfaces) and biochem. systems (enzymes).

ChemistrySelect published new progress about 421-49-8. 421-49-8 belongs to catalysis-chemistry, auxiliary class Trifluoromethyl,Fluoride,Amine,Aliphatic hydrocarbon chain, name is 1,1,1-Trifluoropropan-2-amine, and the molecular formula is C3H6F3N, HPLC of Formula: 421-49-8.

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

Shrimp, Jonathan H. published the artcileAn Enzymatic TMPRSS2 Assay for Assessment of Clinical Candidates and Discovery of Inhibitors as Potential Treatment of COVID-19, Product Details of C17H19N3O7S, the publication is ACS Pharmacology & Translational Science (2020), 3(5), 997-1007, database is CAplus and MEDLINE.

SARS-CoV-2 is the viral pathogen causing the COVID-19 global pandemic. Consequently, much research has gone into the development of pre-clin. assays for the discovery of new or repurposing of FDA-approved therapies. Preventing viral entry into a host cell would be an effective antiviral strategy. One mechanism for SARS-CoV-2 entry occurs when the spike protein on the surface of SARS-CoV-2 binds to an ACE2 receptor followed by cleavage at 2 cut sites (priming) that causes a conformational change allowing for viral and host membrane fusion. TMPRSS2 has an extracellular protease domain capable of cleaving the spike protein to initiate membrane fusion. A validated inhibitor of TMPRSS2 protease activity would be a valuable tool for studying the impact TMPRSS2 has in viral entry and potentially be an effective antiviral therapeutic. To enable inhibitor discovery and profiling of FDA-approved therapeutics, we describe an assay for the biochem. screening of recombinant TMPRSS2 suitable for high throughput application. We demonstrate effectiveness to quantify inhibition down to subnanomolar concentrations by assessing the inhibition of camostat, nafamostat, and gabexate, clin. approved agents in Japan. Also, we profiled a camostat metabolite, FOY-251, and bromhexine hydrochloride, an FDA-approved mucolytic cough suppressant. The rank order potency for the compounds tested are: nafamostat (IC₅₀ = 0.27 nM), camostat (IC₅₀ = 6.2 nM), FOY-251 (IC₅₀ = 33.3 nM) and gabexate (IC₅₀ = 130 nM). Bromhexine hydrochloride showed no inhibition of TMPRSS2. Further profiling of camostat, nafamostat, and gabexate against a panel of recombinant proteases provides insight into selectivity and potency.

ACS Pharmacology & Translational Science published new progress about 71079-09-9. 71079-09-9 belongs to catalysis-chemistry, auxiliary class Salt,Carboxylic acid,Carbamidine,Amine,Benzene,Ester,Protease,Ser/Thr Protease, name is 2-(4-((4-Guanidinobenzoyl)oxy)phenyl)acetic acid methanesulfonic acid salt, and the molecular formula is C6H5BBrClO2, Product Details of C17H19N3O7S.

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

Maekawa, Ai published the artcileCamostat mesilate inhibits prostasin activity and reduces blood pressure and renal injury in salt-sensitive hypertension, Safety of 2-(4-((4-Guanidinobenzoyl)oxy)phenyl)acetic acid methanesulfonic acid salt, the publication is Journal of Hypertension (2009), 27(1), 181-189, database is CAplus and MEDLINE.

Prostasin, a glycosylphosphatidylinositol-anchored serine protease, regulates epithelial sodium channel (ENaC) activity. Sodium reabsorption through ENaC in distal nephron segments is a rate-limiting step in transepithelial sodium transport. Recently, proteolytic cleavage of ENaC subunits by prostasin has been shown to activate ENaC. Therefore, we hypothesized that serine protease inhibitors could inhibit ENaC activity in the kidney, leading to a decrease in blood pressure. We investigated the effects of camostat mesilate, a synthetic serine protease inhibitor, and FOY-251, an active metabolite of camostat mesilate, on sodium transport in the mouse cortical collecting duct cell line (M-1 cells) and on blood pressure in Dahl salt-sensitive rats. Treatment with camostat mesilate or FOY-251 decreased equivalent current (Ieq) in M-1 cells in a dose-dependent manner and inhibited the protease activity of prostasin in vitro. Silencing of the prostasin gene also reduced equivalent current in M-1 cells. The expression level of prostasin protein was not changed by application of camostat mesilate or FOY-251 to M-1 cells. Oral administration of camostat mesilate to Dahl salt-sensitive rats fed a high-salt diet resulted in a significant decrease in blood pressure with elevation of the urinary Na/K ratio, decrease in serum creatinine, reduction in urinary protein excretion, and improvement of renal injury markers such as collagen 1, collagen 3, transforming growth factor-¦Â1, and nephrin. These findings suggest that camostat mesilate can decrease ENaC activity in M-1 cells probably through the inhibition of prostasin activity, and that camostat mesilate can have beneficial effects on both hypertension and kidney injury in Dahl salt-sensitive rats. Camostat mesilate might represent a new class of antihypertensive drugs with renoprotective effects in patients with salt-sensitive hypertension.

Journal of Hypertension published new progress about 71079-09-9. 71079-09-9 belongs to catalysis-chemistry, auxiliary class Salt,Carboxylic acid,Carbamidine,Amine,Benzene,Ester,Protease,Ser/Thr Protease, name is 2-(4-((4-Guanidinobenzoyl)oxy)phenyl)acetic acid methanesulfonic acid salt, and the molecular formula is C17H19N3O7S, Safety of 2-(4-((4-Guanidinobenzoyl)oxy)phenyl)acetic acid methanesulfonic acid salt.

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

Yoshikawa, Hiromichi published the artcileLunularic acid analogs exhibit abscisic acid-like activities in higher plants, Recommanded Product: 4-(Phenoxymethyl)benzoic acid, the publication is Proceedings – Plant Growth Regulation Society of America (2000), 133-138, database is CAplus.

Dihydrostilbene carboxylic acids, phenoxymethylbenzoic acids and benzyloxy-benzoic acids were synthesized as lunularic acid analogs and their biol. activities were estimated by the following bioassays: 1) a cress and lettuce assay 2) an ¦Á-amylase induction test and 3) a Lunularia cruciata callus (A-18 strain) growth test. Some analogs with an electron-withdrawing group at the 3-position of the A ring and a carboxyl group at 2′- or 3′-position of B ring inhibited the germination and the growth of cress (Lepidium sativum). Similar tendency was observed in the growth test of Lunularia cruciata callus. Many compounds were more active than lunularic acid. Moreover, these series of compounds inhibited the ¦Á-amylase induction in barley. The 2,6-dichlorobenzyloxybenzoic acid esters stimulated the growth of lettuce roots but they showed no induction on ¦Á-amylase biosynthesis.

Proceedings – Plant Growth Regulation Society of America published new progress about 31719-76-3. 31719-76-3 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Ether, name is 4-(Phenoxymethyl)benzoic acid, and the molecular formula is C14H14, Recommanded Product: 4-(Phenoxymethyl)benzoic acid.

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

Hargreaves, John S. published the artcileThe degradation of dG phosphoramidites in solution, Category: catalysis-chemistry, the publication is Nucleosides, Nucleotides & Nucleic Acids (2015), 34(10), 691-707, database is CAplus and MEDLINE.

The reaction of 2′-deoxynucleoside phosphoramidites with water is an important degradation reaction that limits the lifetimes of reagents used for chem. deoxyoligonucleotide synthesis. The hydrolysis of nucleoside phosphoramidites in solution has therefore been investigated. The degree of degradation depends not only on the presence of water but also on the specific nucleoside, 2′-deoxyguanosine (dG) being especially susceptible. Addnl., the nature of the group protecting the exocyclic amine on the nucleoside base strongly influences the rate of hydrolysis. For dG, the degradation is 2nd-order in phosphoramidite concentration, indicating autocatalysis of the hydrolysis reaction. Comparison of the degradation rates of dG phosphoramidites with different protecting groups as well as with phosphoramidites containing bases that are structurally similar to dG afforded clues to the nature of how dG catalyzes its own destruction and indicated a direct correlation between ease of protecting group removal and the propensity to undergo autocatalytic degradation

Nucleosides, Nucleotides & Nucleic Acids published new progress about 1798-04-5. 1798-04-5 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Ether, name is 2-(4-(tert-Butyl)phenoxy)acetic acid, and the molecular formula is C12H16O3, Category: catalysis-chemistry.

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

Galik, Vlastimil published the artcileNitrogenous compounds of adamantane. X. Preparation and some reactions of derivatives of 1,3,5-triazaadamantane, Category: catalysis-chemistry, the publication is Sbornik Vysoke Skoly Chemicko-Technologicke v Praze, D: Technologie Paliv (1977), 109-18, database is CAplus.

7-Nitro-1,3,5-triazaadamantane (I), prepared (60%) by condensation of hexamethylenetetramine with MeNO2 in the presence of HCO2H, was cleaved with Ac2O to give 3,7-diacetyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane (II). Similar treatment of I 3-oxide gave 51% II 1-oxide. Reduction of I with Fe in aqueous HCl gave 81% 7-amino-1,3,5-triazaadamantane (III), which was converted on heating with urea at 150¡ã to N,N’-bis(1,3,5-triaza-7-adamantyl)urea (70%). The condensation of III with furfural gave the corresponding Schiff base in 87% yield. The HCl salt of I 3-oxide, the nicotinate, isonicotinate, glutarate, and adipate salts of III, and the quaternary salts IV (R = NO2, R1 = Me, Et; R = NH2, R1 = Me, Et) and V were also prepared

Sbornik Vysoke Skoly Chemicko-Technologicke v Praze, D: Technologie Paliv published new progress about 14707-75-6. 14707-75-6 belongs to catalysis-chemistry, auxiliary class Triazinanes, name is 1,3,5-Triazaadamantan-7-amine, and the molecular formula is C7H14N4, Category: catalysis-chemistry.

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