Month: November 2022

Saha, Supriyo; Yeom, Gyu Seong; Nimse, Satish Balasaheb; Pal, Dilipkumar published the artcile< Combination therapy of ledipasvir and itraconazole in the treatment of COVID-19 patients coinfected with black fungus: an in silico statement>, Quality Control of 112-63-0, the main research area is ledipasvir itraconazole anticoronaviral Rhizomucor spike glycoprotein mol docking COVID19.

The manuscript mainly aimed at providing clues on improving the innate immunity of coronavirus patients and safeguarding them from both new mutant strains and black fungus infections. Coronavirus is readily mutating from one variant to another. Among the several variants, we selected SARS-CoV-2 B.1.1.7 in this study. Upon infection of any virus, ideally, the phagocytic cells of the host engulf and destroy the virus by a mechanism called phagocytosis. However, compromised immunity impairs phagocytosis, and thus, restoring the immune system is crucial for a speedy recovery of infected patients. The autophagy and activation of Toll-like receptor-4 are the only ways to restore innate immunity. Recently, immunocompromised COVID-19 patients have been suffering from the coinfection of black fungus. Rhizomucor, a black fungus species, causes more than 75% of cases of mucormycosis. Here, we present the results of mol. docking studies of sixty approved antiviral drugs targeting receptors associated with the SARS-CoV-2 B 1.1.7 variant (PDB id: 7NEH), activating the innate immune system (PDB id: 5YEC and 5IJC). We also studied the twenty approved antifungal drugs with Rhizomucor miehei lipase propeptide (PDB id: 6QPR) to identify the possible combination therapy for patients coinfected with coronavirus and black fungus. The ledipasvir showed excellent docking interactions with the 7NEH, 5YEC, and 5IJC, indicating that it is a perfect candidate for the treatment of COVID-19 patients. Itraconazole showed significant interaction with 6QPR of Rhizomucor miehei, suggesting that itraconazole can treat black fungus infections. In conclusion, the combination therapy of ledipasvir and itraconazole can be a better alternative for treating COVID-19 patients coinfected with black fungus.

BioMed Research International published new progress about Anticoronaviral agents. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Quality Control of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Taylor, G. R.; Gesser, H. D.; Dunn, G. E. published the artcile< Pyridine-catalyzed halogenation of aromatic compounds. II. Study of the bromine adducts of pyridinium bromide using differential scanning calorimetry and isothermal gravimetric analysis>, COA of Formula: C19H34O2, the main research area is pyridine hydrobromide bromine adduct phase; system bromine pyridine hydrobromide.

The composition and m.ps. of the Br adducts of pyridinium bromide were determined by differential scanning calorimetry. The adducts are described in terms of stoichiometric mixtures of pyridinium bromide and pyridinium tribromide, or in terms of a general formula PyHBr(Br2)n where n equals 1/3, 1/2, 2/3, 1, 3, 6, 18. Pyridinium bromide picks up Br isothermally in an apparatus for thermogravimetric anal. in a stepwise manner with a plateau for each of the above adducts plus one with n equal to 3/2. This provides valuable confirmation of the compositions of adducts deduced from conventional phase diagrams.

Canadian Journal of Chemistry published new progress about 112-63-0. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, COA of Formula: C19H34O2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Homma, Chihiro; Yamanaka, Masahiro; Kano, Taichi; Maruoka, Keiji published the artcile< Synthesis of alkynyl Z-ketimines and their application in amine-catalyzed asymmetric Mannich reactions and conjugate addition>, Computed Properties of 120157-98-4, the main research area is alkynyl ketimine amine catalyst enantioselective Mannich reaction conjugate addition.

A facile and practical synthesis of various alkynyl Z-ketimines, which was used as a synthetic equivalent of alkyl ketimines was developed. The obtained alkynyl Z-ketimines was successfully applied in enantioselective Mannich reaction and conjugate addition catalyzed by a chiral amine with an acid functionality.

Tetrahedron published new progress about Aldehydes Role: RCT (Reactant), RACT (Reactant or Reagent). 120157-98-4 belongs to class esters-buliding-blocks, and the molecular formula is C7H13NO3, Computed Properties of 120157-98-4.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Hughes, Gordon K.; Lions, Francis; Ritchie, Ernest published the artcile< Indoles. VII. Derivatives of 7-nitroindole>, Related Products of 112-63-0, the main research area is .

A number of o-nitrophenylhydrazones were prepared by (a) reacting o-nitrophenylhydrazine with aldehydes and ketones and by (b) applying the Japp-Klingemann reaction, i. e., by coupling diazotized o-O2NC6H4NH2 (I) with the alkali derivatives of monoalkylated acetoacetic esters. The o-nitrophenylhydrazones were then subjected to ring closure by the Fischer indole synthesis, using the following methods: (1) refluxing a solution of o-nitrophenylhydrazone (hereafter designated O. N. P.) in 10 times its weight of glacial AcOH for several hrs.; (2) dissolving the O. N. P. in 10 times its weight of cold concentrated H2SO4 and allowing to stand for 24 h.; (3) passing dry HCl into a hot solution of the O. N. P. in absolute alc. until NH4Cl precipitated; (4) refluxing the O. N. P. in 10 times its weight of dilute H2SO4 (1:1) until no further change occurred; if a solid precipitate remained, it was filtered; if the product was tarry, the acid liquor was decanted and the residue washed with H2O, extracted with hot dilute Na2CO3, and acidified; (5) same as (4) but using concentrated HCl instead of dilute H2SO4; (6) following the method of German pat. 238, 138(C. A. 6, 1659), anhydrous ZnCl2 was added to 1 part O. N. P. in 3 parts cumene and the whole refluxed for 3 h.; (7) dissolving anhydrous ZnCl2 (20 g.) in a solution of the O. N. P. (2 g.) in absolute alc. (16 cc.) and refluxing for 2 h.; (8) dissolving the O. N. P. in 10 times its weight of HBr in glacial AcOH and refluxing 90 min. The reaction product was generally poured into water, collected with ether and purified. The suitable cyclization conditions varied with the intermediates and it was not possible to formulate a set of conditions which invariably lead to success since a method working well in one case was useless in another. The most generally useful reagent was found to be anhydrous ZnCl2 in boiling cumene, but even this failed where, curiously enough, HBr in AcOH or even alc. HCl was effective. Et α-acetylpyruvate (20.5 g.) and diazotized I gave Et pyruvate o-nitrophenylhydrazone, yellow, m. 106°, which failed to cyclize by methods (1), (2) and (3), but by method (5) it was possible to isolate 7-nitroindole-2-carboxylic acid, yellow, m. 231°, the yield being 3 g. from 5 g. of the hydrazone; in cold dilute alc. the latter gives a yellow solution which becomes red on warming; attempts to prepare 7-aminoindole-2-carboxylic acid with FeSO4 and NH3 proved abortive. Decarboxylation of the acid (10 g.) by heating carefully in anhydrous glycerol (100 cc.) to 220° and maintaining that temperature for 3-5 min., followed by cooling and pouring into cold H2O, gave 60% 7-nitroindole, b32 170-5°, orange platelets, m. 113°, from petr. ether. Et α-acetylbutyrate and diazotized I gave 90% Et α-ketobutyrate o-nitrophenylhydrazone (II), yellow, m. 94°; attempts to cyclize this by methods (1) or (3) converted it into a yellow compound (III), m. 68°, probably a geometric isomer since it could be converted to 3-methyl-7-nitroindole-2-carboxylic acid (IV), yellow, m. above 270°, by boiling with concentrated HCl, but the ease of cyclization of III was considerably less than that of isomeric II; cyclization of II by method (2) readily yielded Et 3-methyl-7-nitroindole-2-carboxylate, yellow, m. 115°, while cyclization of either II or III by method (5) gave the corresponding acid (IV). Coupling diazotized I (15 g.) with Et α-acetylvalerate (18 g.) gave Et α-ketovalerate o-nitrophenylhydrazone, as a non-crystallizable, dark red oil (28 g.), which failed to cyclize by method (1) but, by methods (2) or (6), gave Et 3-ethyl-7-nitroindole-2-carboxylate, yellow, m. 85°; method (5) formed 3-ethyl-7-nitroindole-2-carboxylic acid, yellow, m. 245°. Diazotized I (10 g.) was coupled with the K salt of Et α-acetylcaproate, giving Et α-ketocaproate o-phenylhydrazone as a non-crystallizable red oil (15 g.), which failed to couple by method (1) but by methods (2) and (6) yielded Et 3-propyl-7-nitroindole-2-carboxylate, yellow, m. 70°; treatment of the hydrazone by method (5) yielded 3-propyl-7-nitroindole-2-carboxylic acid, yellow, m. 196°. Diazotized I (20 g.) and Et α-acetylphenylpropionate (32 g.) gave Et phenylpyruvate o-nitrophenylhydrazone as a dark red oil (41 g.) which from petr. ether deposited orange prisms, m. 68°, upon slow evaporation at room temperature; cyclization by methods (1), (2), (4), (5) and (6) were of no avail, but methods (3) and (8) gave, resp., 60% and 45% Et 3-phenyl-7-nitroindole-2-carboxylate, yellow, m. 112°; the product by method (3) was much more difficult to purify than that obtained by method (8). Diazotized I (10 g.) and the K salt of Et cyclohexanone-2-carboxylate (12 g.) gave the o-nitrophenylhydrazone of the half-ester of α-ketopimelic acid, yellow, m. 122°, which failed to cyclize by method (2), formed a tar by method (6), but by method (5) gave γ-(2-carboxy-7-nitroindolyl)butyric acid, yellow, m. 171°, from MeOH and benzene, also obtained in small yield (5-10%) by method (7), the product m. 184° from MeOH. The o-nitrophenylhydrazones of the following aldehydes and ketones were prepared and subjected to cyclization experiments: Me2CO, m. 70° (cf. Ekenstein and Blanksma, Rec. trav. chim. 24, 37(1905)), could not be cyclized using methods (5) or (6); Et2CO, m. 60° (cf. E. and K.), failed to cyclize by method (1), but with (5), 2-ethyl-3-methyl-7-nitroindole, orange, m. 104°, was obtained; iso-BuCHO, m. 59°, by method (5) gave a product as orange leaflets, m. 154°, which may be 2,2′-isobutylidenebis(3,3′-dimethyl-7-nitroindolenine), and treatment by method (7) caused indole cyclization but the product was contaminated with tar and could not be purified; cyclopentanone, m. 64°, although cyclized by Perkin and Plant (C. A. 18, 687) with hot dilute H2SO4, failed with methods (2), (4) or (5); PhCOMe, m. 138° (cf. E. and B.), failed to cyclize by methods (2), (5) and (6); PhCOEt, scarlet, m. 120°, failed to cyclize by method (5), but by method (6) gave a mixture of red and orange crystals, the conversion, however, being incomplete even after heating for 6 h.; desoxybenzoin, scarlet, m. 125°, failed to cyclize by methods (5) and (6); β-acetylpyridine, orange, m. 144°, failed to cyclize by methods (5) and (6).

Journal and Proceedings of the Royal Society of New South Wales published new progress about Hydrazones. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Related Products of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Hall, Jean A.; Panickar, Kiran S.; Brockman, Jeffrey A.; Jewell, Dennis E. published the artcile< Cats with Genetic Variants of AGXT2 Respond Differently to a Dietary Intervention Known to Reduce the Risk of Calcium Oxalate Stone Formation>, HPLC of Formula: 112-63-0, the main research area is calcium oxalate stone AGXT2 genetic variation food intake; AGXT2; betaine; calcium oxalate; cats; metabolomics; personalized nutrition; urine.

This study was completed to evaluate a genotype-specific nutritional intervention for reducing the risk of calcium oxalate stone formation. Serum metabolomic profiles and genotypes of 445 cats in the colony at Hill′s Pet Nutrition, Inc (Topeka, KS, USA)were assessed in a genome-wide association study, and revealed an association between genetic variants of alanine-glyoxylate aminotransferase 2 (AGXT2) and 2-oxoarginine. The most significant single nucleotide polymorphisms (SNP) associated with 2-oxoarginine was at position chrA1:212069607, [G/A] (p < 3.687 x 10-17). This SNP explained approx. 15% of the variance in 2-oxoarginine concentrations The distribution of genotype frequencies was 0.07 AA, 0.39 AG, and 0.54 GG, with a mean relative 2-oxoarginine concentration for each genotype of 0.45 AA, 0.92 AG, and 1.27 GG, indicating a subtractive effect of the minor allele (A). Serum concentrations of two AGXT2 substrates, sym./asym. dimethylarginines (SDMA/ADMA) and β-aminoisobutyrate (BAIB) were also strongly associated with SNP chrA1:212069607 (p < 1.43 x 10-12 and p < 2.30 x 10-14, resp.). These two AGXT2 substrates were increased with the minor allele (A), indicating that the variant of the AGXT2 gene results in decreased aminotransferase activity. Addnl., the lifetime history of stone incidence showed that cats with the AA variant of AGXT2 SNP had a 2.515x increased incidence of stones compared with cats having the GG variant (p = 0.019). In a subsequent study assessing AGXT2 genotypes, cats (n = 10 GG, 4 AG, 9 AA) were fed control or test food (containing betaine at 0.500%, and the botanicals green tea, fenugreek and tulsi at 0.25, 0.025, and 0.0015%, resp.) in a cross-over study design. Stone risk anal. was conducted on urine samples after feeding control or test food for 28 days each. A calcium oxalate titration test (COT) was performed to assess the amount of added Ox-2 (per L) required to initiate calcium oxalate crystal formation. Cats with the GG variant of the AGXT2 SNP required more added oxalate to initiate urine crystal formation after consuming test food compared with control food, indicating a decreased risk of oxalate crystal formation in GG cats. In addition, urine oxalate concentrations showed an overall effect of test food independent of genotype (p = 0.0009), which resulted in lower oxalate concentrations after consuming test food compared with control food. These data indicate that cats with the GG-specific variant of AGXT2 should benefit from a reduced risk of calcium oxalate stone formation after consuming a betaine and botanical dietary enhancement. Genes published new progress about Alleles. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, HPLC of Formula: 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Sumabe, Balagra Kasim; Raeder, Synnove Brandt; Rost, Lisa Marie; Sharma, Animesh; Donkor, Eric S.; Mosi, Lydia; Duodu, Samuel; Bruheim, Per; Otterlei, Marit published the artcile< Nucleoside analogues are potent inducers of Pol V-mediated mutagenesis>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is DNA polymerase V mutagenesis nucleoside analog Escherichia; AMR; MDR; NA; NRTIs; Pol V; SOS; TLS; β-clamp.

Drugs targeting DNA and RNA in mammalian cells or viruses can also affect bacteria present in the host and thereby induce the bacterial SOS system. This has the potential to increase mutagenesis and the development of antimicrobial resistance (AMR). Here, we have examined nucleoside analogs (NAs) commonly used in anti-viral and anti-cancer therapies for potential effects on mutagenesis in Escherichia coli, using the rifampicin mutagenicity assay. To further explore the mode of action of the NAs, we applied E. coli deletion mutants, a peptide inhibiting Pol V (APIM-peptide) and metabolome and proteome analyses. Five out of the thirteen NAs examined, including three nucleoside reverse transcriptase inhibitors (NRTIs) and two anti-cancer drugs, increased the mutation frequency in E. coli by more than 25-fold at doses that were within reported plasma concentration range (Pl.CR), but that did not affect bacterial growth. We show that the SOS response is induced and that the increase in mutation frequency is mediated by the TLS polymerase Pol V. Quant. mass spectrometry-based metabolite profiling did not reveal large changes in nucleoside phosphate or other central carbon metabolite pools, which suggests that the SOS induction is an effect of increased replicative stress. Our results suggest that NAs/NRTIs can contribute to the development of AMR and that drugs inhibiting Pol V can reverse this mutagenesis.

Biomolecules published new progress about Antimicrobial agent resistance. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Betlem, K.; Mahmood, I.; Seixas, R. D.; Sadiki, I.; Raimbault, R. L. D.; Foster, C. W.; Crapnell, R. D.; Tedesco, S.; Banks, C. E.; Gruber, J.; Peeters, M. published the artcile< Evaluating the temperature dependence of heat-transfer based detection: A case study with caffeine and Molecularly Imprinted Polymers as synthetic receptors>, Application of C18H26O6, the main research area is molecularly imprinted polymer heat transfer method caffeine environmental contamination.

Molecularly Imprinted Polymers (MIPs) are synthesized for the selective detection of caffeine. The polymerization process, monomer and crosslinker monomer composition are varied to determine the optimal synthesis procedure via batch rebinding experiments evaluated with optical detection. The selectivity is tested by comparing the response of caffeine to compounds with similar chem. structures (theophylline and theobromine) and dopamine, another neurotransmitter. Subsequently, the MIP polymer particles are integrated into bulk modified MIP screen-printed electrodes (MIP-modified SPEs). The sensors are used to measure caffeine content in various samples employing the Heat-Transfer Method (HTM), a low-cost and simple thermal detection method that is based on differences in thermal resistance at the solid-liquid interface. At first, the noise is minimized by adjusting the settings of temperature feedback loop. Second, the response of the MIP-modified SPE is studied at various temperatures ranging from 37 to 50 and 85 °C. The binding to MIP-modified SPEs has never been studied at elevated temperatures since most biomols. are not stable at those temperatures Using caffeine as proof-of-concept, it is demonstrated that at 85 °C the detection limit is significantly enhanced due to higher signal to noise ratios and enhanced diffusion of the biomol. Thermal wave transport anal. (TWTA) is also optimized at 85 °C producing a limit of detection of ∼1 nM. Next, MIP-modified SPEs are used to measure the caffeine concentration in complex samples including caffeinated beverages, spiked tap water and waste water samples. The use of MIP-modified SPEs combined with thermal detection provides sensors that can be used for fast and low-cost detection performed on-site, which holds great potential for the determination of contaminants in environmental samples. The platform is generic and by adapting the MIP layer, we can expand to this a range of relevant targets.

Chemical Engineering Journal (Amsterdam, Netherlands) published new progress about Drinking waters. 3290-92-4 belongs to class esters-buliding-blocks, and the molecular formula is C18H26O6, Application of C18H26O6.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Ameen, K. K. Mohammed; Ahamed, F. M. Mashood; Padusha, M. Syed Ali; Gunasekaran, B. published the artcile< Diethyl 4-(3-chlorophenyl)-2,6-diphenyl-1,4-dihydropyridine-3,5-dicarboxylate>, Related Products of 94-02-0, the main research area is diethyl chlorophenyl diphenyl dihydropyridine dicarboxylate hydrogen bond crystal structure.

In the title compound, C29H26ClNO4, the dihydropyridine ring adopts a shallow boat conformation. The mean plane of the dihydropyridine ring (all atoms) subtends dihedral angles of 66.54 (1), 73.71 (1) and 79.47 (1)° with the two Ph rings and the chlorophenyl ring, resp. In the crystal, N-H···O hydrogen bonds link the mols. into [001] chains.

IUCrData published new progress about Bond angle, dihedral. 94-02-0 belongs to class esters-buliding-blocks, and the molecular formula is C11H12O3, Related Products of 94-02-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Li, Yang; Beija, Mariana; Laurent, Sophie; vander Elst, Luce; Muller, Robert N.; Duong, Hien T. T.; Lowe, Andrew B.; Davis, Thomas P.; Boyer, Cyrille published the artcile< Macromolecular Ligands for Gadolinium MRI Contrast Agents>, Application In Synthesis of 71195-85-2, the main research area is fluoropolymer gadolinium MRI contrast agent preparation.

Macromol. ligands for gadolinium contrast agents (CAs) were prepared via a grafting to strategy. Copolymers of oligoethylene glycol Me ether acrylate (OEGA) and an activated ester monomer, pentafluorophenyl acrylate (PFPA), were synthesized and modified with the 1-(5-amino-3-aza-2-oxypentyl)-4,7,10-tris(tert-butoxycarbonylmethyl)-1,4,7,10-tetraazacyclododecane (DO3A-tBu-NH2) chelate for the complexation of Gd3+. The relaxivity properties of the ligated Gd3+ agents were then studied to evaluate the effect of macromol. architecture on their behavior as magnetic resonance imaging (MRI) CAs. Ligands made from linear and hyperbranched macromols. showed a substantially increased relaxivity in comparison to existing com. Gd3+ MRI contrast agents. In contrast, star nanogel polymers exhibited a slightly lower relaxivity per Gd3+ ion (but still substantially higher relaxivity than existing low mol. weight com. CAs). This work shows that macromol. ligands have the potential to serve as components of Gd MRI agents as there are enhanced effects on relaxivity, allowing for lower Gd concentrations to achieve contrast, while potentially imparting control over pharmacokinetics.

Macromolecules (Washington, DC, United States) published new progress about Cytotoxicity. 71195-85-2 belongs to class esters-buliding-blocks, and the molecular formula is C9H3F5O2, Application In Synthesis of 71195-85-2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Aldoghachi, Asraa Faris; Aldoghachi, Ahmed Faris; Breyne, Koen; Ling, King-Hwa; Cheah, Pike-See published the artcile< Recent Advances in the Therapeutic Strategies of Glioblastoma Multiforme>, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is review temozolomide antitumor Glioblastoma multiforme; Gene therapy; cancer therapy; chemotherapy; glioblastoma multiforme; immunotherapy; radiotherapy.

A review. Glioblastoma multiforme (GBM) is one of the most common, most formidable, and deadliest malignant types of primary astrocytoma with a poor prognosis. At present, the standard of care includes surgical tumor resection, followed by radiation therapy concomitant with chemotherapy and temozolomide. New developments and significant advances in the treatment of GBM have been achieved in recent decades. However, despite the advances, recurrence is often inevitable, and the survival of patients remains low. Various factors contribute to the difficulty in identifying an effective therapeutic option, among which are tumor complexity, the presence of the blood-brain barrier (BBB), and the presence of GBM cancer stem cells, prompting the need for improving existing treatment approaches and investigating new treatment alternatives for ameliorating the treatment strategies of GBM. In this review, we outline some of the most recent literature on the various available treatment options such as surgery, radiotherapy, cytotoxic chemotherapy, gene therapy, immunotherapy, phototherapy, nanotherapy, and tumor treating fields in the treatment of GBM, and we list some of the potential future directions of GBM. The reviewed studies confirm that GBM is a sophisticated disease with several challenges for scientists to address. Hence, more studies and a multimodal therapeutic approach are crucial to yield an effective cure and prolong the survival of GBM patients.

Neuroscience (Amsterdam, Netherlands) published new progress about Antitumor agents. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Recommanded Product: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics