Month: December 2022

Yasmin, Nasima published the artcileA simple one-pot synthesis of 2-aryl-5-alkyl-substituted oxazoles by Cs₂CO₃-mediated reactions of aromatic primary amides with 2,3-dibromopropene, Category: amides-buliding-blocks, the publication is Synlett (2009), 2825-2827, database is CAplus.

A simple and efficient method for the synthesis of 2-aryl-5-alkyl-substituted oxazoles has been developed. A series of 2,5-disubstituted oxazoles were synthesized in a single step by Cs₂CO₃-mediated reactions of aromatic primary amides with 2,3-dibromopropene.

Synlett published new progress about 2447-79-2. 2447-79-2 belongs to amides-buliding-blocks, auxiliary class Chloride,Amine,Benzene,Amide, name is 2,4-Dichlorobenzamide, and the molecular formula is C16H14O6, Category: amides-buliding-blocks.

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

Thorat, Kishor G. published the artcileModulating TICT to ICT characteristics of acid switchable red emitting boradiazaindacene chromophores: Perspectives from synthesis, photophysical, hyperpolarizability and TD-DFT studies, Quality Control of 14294-10-1, the publication is Dyes and Pigments (2017), 321-334, database is CAplus.

Two new red emitting difluoro-boradiazaindacene fluorophores were synthesized, and their photophys. and hyperpolarizability properties in various microenvironments were evaluated exptl. and characterized in detail with respect to DFT and TD-DFT using B3LYP/6-31G(d) level of theory. The dyes possess reasonable first order hyperpolarizabilities in solvents of different polarities. The photophys. properties of the difluoro-boradiazaindacene cores are highly sensitive towards change in polarity of microenvironments because of twisted intramol. charge transfer (TICT) characteristics. The dyes show unusually large Stokes shifts and their photophys. properties such as emission maxima and fluorescence intensity were altered to a great extent in the presence of trace amount of TFA in chloroform. These dyes can be used as promising candidates for pH probes and non-linear optical materials.

Dyes and Pigments published new progress about 14294-10-1. 14294-10-1 belongs to amides-buliding-blocks, auxiliary class Morpholine,Thiourea,Amine,Amide, name is Morpholine-4-carbothioamide, and the molecular formula is Al2H32O28S3, Quality Control of 14294-10-1.

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

Gamidi, Rama Krishna published the artcileAnalysis and Artificial Neural Network Prediction of Melting Properties and Ideal Mole fraction Solubility of Cocrystals, Computed Properties of 1453-82-3, the publication is Crystal Growth & Design (2020), 20(9), 5745-5759, database is CAplus.

Different artificial neural network (ANN) models have been developed and examined for prediction of cocrystal properties based on pure component phys. properties only. From the mol. weight, melting temperature, melting enthalpy, and melting entropy of the pure compounds, the corresponding melting properties of the cocrystals and the cocrystal ideal solubility have been successfully predicted. Notably, no information whatsoever about the cocrystals is needed, besides the identification of the two compounds from which the cocrystal is formed. In total, 30 cocrystal systems of 8 different model components, namely, theophylline, piracetam, gabapentin-lactam, tegafur, nicotinamide, salicylic acid, syringic acid, and 4,4′-bipyridine, with distinct coformers have been chosen as the model systems for the construction of ANN models. In all the cases, 70% of the data points have been used to train the model, and the rest were used to test the capability of the model (as a validation set) as selected through a random selection process. The training process was stopped with overall r² values above 0.986. In particular, the models capture how the coformer structure influences the targeted phys. properties of cocrystals. Different artificial neural network models have been developed and examined for prediction of cocrystal properties based on pure component phys. properties only. From the mol. weight, melting temperature, melting enthalpy, and melting entropy of the pure compounds, the corresponding melting properties of the cocrystals and the cocrystal ideal solubility have been successfully predicted. The training process was stopped for all the five models with overall r² values above 0.986. In particular, the models capture how the coformer structure influences the targeted phys. properties of cocrystals.

Crystal Growth & Design published new progress about 1453-82-3. 1453-82-3 belongs to amides-buliding-blocks, auxiliary class Pyridine,Amine,Amide, name is Isonicotinamide, and the molecular formula is C6H6N2O, Computed Properties of 1453-82-3.

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

Queen, Z. Edel published the artcileThe GC MS study of one ayurvedic preparation Amrithamehari churnam, Computed Properties of 2447-79-2, the publication is International Journal of Pharmaceutical Sciences Review and Research (2016), 39(2), 169-172, database is CAplus.

Amrithamehari churnam is an Ayurvedic formulation for the treatment of diabetes, weight loss and bladder disorders. The present study deals with the GC MS anal. of of Amrithamehari churnam. Fifty different peaks were observed indicating various bimols. It was observed that there is an indication of the presence of some compounds such as Pyridinium, 1-(2-hydrazino-2-oxoethyl)-, chloride, Arsonous dichloride, methyl-, 1-Dodecane, 2-Methoxy-4-vinylphenol, 1-Undecanol, 1-hexadecanol, Artumerone, Tumerone, Curlone, 4-Isoquinolinecarboxylic acid, 2, 3, 5, 6, 7, 8-hexahydro-3-oxo-, 1-Docosene, Squalene, á-Sitosterol, Benzenepropanoic acid, 3, 5-bis(1,1-dimethylethyl)-4-hydroxy etc. The medicinal values of each compound have similarity with that of the main drug, Amrithamehari churnam. Further work is in progress to prove the efficacy of this drug by standard methods.

International Journal of Pharmaceutical Sciences Review and Research published new progress about 2447-79-2. 2447-79-2 belongs to amides-buliding-blocks, auxiliary class Chloride,Amine,Benzene,Amide, name is 2,4-Dichlorobenzamide, and the molecular formula is C7H5Cl2NO, Computed Properties of 2447-79-2.

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

van Leeuwen, Ingeborg M. M. published the artcileAn evaluation of small-molecule p53 activators as chemoprotectants ameliorating adverse effects of anticancer drugs in normal cells, SDS of cas: 1011557-82-6, the publication is Cell Cycle (2012), 11(9), 1851-1861, database is CAplus and MEDLINE.

Pharmacol. activation of wild-type p53 has been found to protect normal cells in culture from cytotoxicity and nuclear aberrations caused by conventional cancer therapeutics. Hence, small-mol. p53 activators could have clin. benefits as chemoprotectants for cancer patients bearing p53-mutant tumors. We have evaluated 16 p53-based cyclotherapy regimes combining p53 activators tenovin-6, leptomycin B, nutlin-3 and low dose actinomycin D, with clin. utilized chemotherapeutic agents (S- and M-phase poisons) vinblastine, vinorelbine, cytosine arabinoside and gemcitabine. All the p53 activators induce reversible cell cycle arrest in primary human fibroblasts and protect them from both S- and M-phase poisons. Furthermore, studies with p53-mutant cancer cell lines show that nutlin-3 and low-dose actinomycin D do not affect the sensitivity of these cells to any of the chemotherapeutics tested. Thus, these two small mols. could be suitable choices for cyclotherapy regimes involving S- or M-phase poisons. In contrast, pre-incubation of p53-mutant cells with tenovin-6 or leptomycin B reduces the efficacy of vinca alkaloids, suggesting that these p53 activators could be effective as chemoprotectants if combined with S- but not M-phase poisons. Discrepancies were observed between the levels of protection detected immediately after treatment and following recovery in fresh medium. This highlights the need to assess both short- and long-term effects when evaluating compounds as potential chemoprotectants for cancer therapy.

Cell Cycle published new progress about 1011557-82-6. 1011557-82-6 belongs to amides-buliding-blocks, auxiliary class Epigenetics,Sirtuin, name is 4-(tert-Butyl)-N-((4-(5-(dimethylamino)pentanamido)phenyl)carbamothioyl)benzamide, and the molecular formula is C25H47NO8, SDS of cas: 1011557-82-6.

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

Ramalho, Theresa published the artcileLeukotriene-B4 modulates macrophage metabolism and fat loss in type 1 diabetic mice, Product Details of C12H23N3S, the publication is Journal of Leukocyte Biology (2019), 106(3), 665-675, database is CAplus and MEDLINE.

Serum levels of leukotriene-B4 (LTB4) are increased in type 1 diabetes (T1D) and it mediates systemic inflammation and macrophage reprogramming associated with this condition. Herein, investigated the involvement of LTB4 in adiposity loss, hyperlipidemia, and changes in macrophage metabolism in a mouse model of streptozotocin-induced T1D. LTB4 receptor (BLT1) antagonist u75302 was employed to block LTB4 effects. As expected, hypoinsulinemia in T1D was associated with hyperglycemia, low levels of glucagon, hyperlipidemia, significant body fat loss, and increased white adipose tissue expression of Fgf21, a marker for lipolysis. With the exception of hyperglycemia and hypoglucagonemia, blockade of LTB4 signaling reverted these parameters in T1D mice. Along with hyperlipidemia, macrophages from T1D mice exhibited higher lipid uptake and accumulation. These cells also had enhanced glycolysis and oxidative metabolism and these parameters were dependent on the mitochondrial uncoupling respiration, as evidenced by elevated expression of oxidation markers carnitine palmitoyltransferase and uncoupling protein 1. Interestingly, all these parameters were at least partially reverted in T1D mice treated with u75302. Altogether, these findings suggest that in T1D mice LTB4/BLT1 is involved in the fat loss, hyperlipidemia, and increased macrophage lipid uptake and metabolism with an important involvement of mitochondrial uncoupling activity. These previously unrecognized LTB4/BLT1 functions may be explored in future to therapeutically alleviate severity of hyperlipidemia and systemic inflammation in T1D.

Journal of Leukocyte Biology published new progress about 321673-30-7. 321673-30-7 belongs to amides-buliding-blocks, auxiliary class Immunology/Inflammation,Scavenger receptor, name is [(2-Hexylcyclopentylidene)amino]thiourea, and the molecular formula is C12H23N3S, Product Details of C12H23N3S.

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

Nielsen, Alexander L. published the artcileMechanism-based inhibitors of SIRT2: structure-activity relationship, X-ray structures, target engagement, regulation of α-tubulin acetylation and inhibition of breast cancer cell migration, Name: 4-(tert-Butyl)-N-((4-(5-(dimethylamino)pentanamido)phenyl)carbamothioyl)benzamide, the publication is RSC Chemical Biology (2021), 2(2), 612-626, database is CAplus and MEDLINE.

Sirtuin 2 (SIRT2) is a protein deacylase enzyme that removes acetyl groups and longer chain acyl groups from post-translationally modified lysine residues. It affects diverse biol. functions in the cell and has been considered a drug target in relation to both neurodegenerative diseases and cancer. Therefore, access to well-characterized and robust tool compounds is essential for the continued investigation of the complex functions of this enzyme. Here, we report a collection of chem. probes that are potent, selective, stable in serum, water-soluble, and inhibit SIRT2-mediated deacetylation and demyristoylation in cells. Compared to the current landscape of SIRT2 inhibitors, this is a unique ensemble of features built into a single compound We expect the developed chemotypes to find broad application in the interrogation of SIRT2 functions in both healthy and diseased cells, and to provide a foundation for the development of future therapeutics.

RSC Chemical Biology published new progress about 1011557-82-6. 1011557-82-6 belongs to amides-buliding-blocks, auxiliary class Epigenetics,Sirtuin, name is 4-(tert-Butyl)-N-((4-(5-(dimethylamino)pentanamido)phenyl)carbamothioyl)benzamide, and the molecular formula is C25H34N4O2S, Name: 4-(tert-Butyl)-N-((4-(5-(dimethylamino)pentanamido)phenyl)carbamothioyl)benzamide.

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

Mohammad Shafiee, M. R. published the artcileHighly Efficient and Green Synthesis of Indole and Benzofuran Derivatives via Electrochemical Methods under ECECCC Mechanism, Name: 2-Cyano-N-ethylacetamide, the publication is Journal of the Electrochemical Society (2017), 164(13), G105-G111, database is CAplus.

Electrochem. synthesis of novel benzofuran and indole derivatives was carried out by the electrochem. oxidation of hydroquinone, 4-aminophenol and p-phenylenediamine in the presence of cyanoacetamide and 2-cyano-n-ethylacetamide as nucleophiles in a phosphate buffer solution (PBS) mixed with ethanol as a green solvent using cyclic voltammetry, controlled-potential coulometry, and UV-spectroscopy methods. The oxidized form of hydroquinone, 4-aminophenol, and p-phenylenediamine participate in the 1,4-Michael addition reactions with cyanoacetamides via the ECECCC mechanism for the electrochem. synthesis of new benzofuran and indole derivatives with good yield and high purity under controlled potential conditions. In this method, a carbon rod was used as the anode and the use of toxic and/or hazardous reagents was avoided. The obtained products were characterized after purification by the FTIR, ¹HNMR, ¹³C NMR and elemental anal. The present work led to the development of a facile and environmentally friendly reagent-less electrochem. method with high atom economy and safer waste under green conditions.

Journal of the Electrochemical Society published new progress about 15029-36-4. 15029-36-4 belongs to amides-buliding-blocks, auxiliary class Nitrile,Amine,Aliphatic hydrocarbon chain,Amide, name is 2-Cyano-N-ethylacetamide, and the molecular formula is C5H8N2O, Name: 2-Cyano-N-ethylacetamide.

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

Madeira, Mila F. M. published the artcileThe role of 5-lipoxygenase in Aggregatibacter actinomycetemcomitans-induced alveolar bone loss, Quality Control of 321673-30-7, the publication is Journal of Clinical Periodontology (2017), 44(8), 793-802, database is CAplus and MEDLINE.

Leukotrienes (LTs) are pro-inflammatory lipid mediators formed by the enzyme 5-lipoxygenase (5-LO). The involvement of 5-LO metabolites in periodontal disease (PD) is not well defined. This study aimed to assess the role of 5-LO in exptl. PD induced by Aggregatibacter actinomycetemcomitans (Aa). In vivo experiments were carried out using SV129 wild-type (WT) and 5-LO-deficient (5lo^-/-) mice inoculated with Aa. Osteoclasts were stimulated in vitro with AaLPS in the presence or not of selective inhibitors of the 5-LO pathway, or LTB4 or platelet-activating factor (PAF), as PAF has already been shown to increase osteoclast activity. In 5lo^-/- mice, there were no loss of alveolar bone and less TRAP-pos. osteoclasts in periodontal tissues, after Aa inoculation, despite local production of TNF-α and IL-6. The differentiation and activity of osteoclasts stimulated with AaLPS were diminished in the presence of BLT1 antagonist or 5-LO inhibitor, but not in the presence of cysteinyl leukotriene receptor antagonist. The osteoclast differentiation induced by PAF was impaired by the BLT1 antagonism. In conclusion, LTB4 but not CysLTs is important for Aa-induced alveolar bone loss. Overall, LTB4 affects osteoclast differentiation and activity and is a key intermediate of PAF-induced osteoclastogenesis.

Journal of Clinical Periodontology published new progress about 321673-30-7. 321673-30-7 belongs to amides-buliding-blocks, auxiliary class Immunology/Inflammation,Scavenger receptor, name is [(2-Hexylcyclopentylidene)amino]thiourea, and the molecular formula is C12H23N3S, Quality Control of 321673-30-7.

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

Hu, Liming published the artcileThermophilic pyrrolysyl-tRNA synthetase mutants for enhanced mammalian genetic code expansion, Quality Control of 2418-95-3, the publication is ACS Synthetic Biology (2020), 9(10), 2723-2736, database is CAplus and MEDLINE.

Genetic code expansion (GCE) is a powerful technique for site-specific incorporation of noncanonical amino acids (ncAAs) into proteins in living cells, which is achieved through evolved aminoacyl-tRNA synthetase mutants. Stability is important for promoting enzyme evolution, and we found that many of the evolved synthetase mutants have reduced thermostabilities. In this study, we characterized two novel pyrrolysyl-tRNA synthetases (PylRSs) derived from thermophilic archaea: Methanosarcina thermophila (Mt) and Methanosarcina flavescens (Mf). Further study demonstrated that the wild-type PylRSs and several mutants were orthogonal and active in both Escherichia coli and mammalian cells and could thus be used for GCE. Compared with the commonly used M. barkeri PylRS, the wild-type thermophilic PylRSs displayed reduced GCE efficiency; however, some of the mutants, as well as some chimeras, outperformed their mesophilic counterparts in mammalian cell culture at 37°C. Their better performance could at least partially be attributed to the fact that these thermophilic synthetases exhibit a threshold of enhanced stability against destabilizing mutations to accommodate structurally diverse substrate analogs. These were indicated by the higher melting temperatures (by 3-6°C) and the higher expression levels that were typically observed for the MtPylRS and MfPylRS mutants relative to the Mb equivalent Using histone H3 as an example, we demonstrated that one of the thermophilic synthetase mutants promoted the incorporation of multiple acetyl-lysine residues in mammalian cells. The enzymes developed in this study add to the PylRS toolbox and provide potentially better scaffolds for PylRS engineering and evolution, which will be necessary to meet the increasing demands for expanded substrate repertoire with better efficiency and specificity in mammalian systems.

ACS Synthetic Biology published new progress about 2418-95-3. 2418-95-3 belongs to amides-buliding-blocks, auxiliary class Chiral,Carboxylic acid,Amine,Aliphatic hydrocarbon chain,Ester,Amino acide derivatives, name is H-Lys(Boc)-OH, and the molecular formula is C11H22N2O4, Quality Control of 2418-95-3.

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