Month: November 2022

Ejaz, Iqra published the artcileRational design, synthesis, antiproliferative activity against MCF-7, MDA-MB-231 cells, estrogen receptors binding affinity, and computational study of indenopyrimidine-2,5-dione analogs for the treatment of breast cancer, Name: 1-Methylurea, the main research area is breast cancer antiproliferative estrogen receptor indenopyrimidine dione therapeutics; Breast cancer; Estrogen receptor (ER); MCF-7 cancer cells, Antiangiogenesis; Tricyclic indenopyrimidine-2,5-dione.

Based on the structural architecture of estrogen receptors (ER) agonists/antagonists, we rationally designed and synthesized indenopyrimidine-2,5-dione analogs as a starting point of current research targeting estrogen receptors. These analogs were evaluated for their antiproliferative activities against breast cancer MCF-7 (ER+), MDA-MB-231 (ER-) and non-cancerous HEK-293 cells using MTT assay. Compounds with high antiproliferative activity against MCF-7 breast cancer cells were found devoid of cytotoxicity against HEK-293 cells. Competitive binding assay of estrogen receptors ERα and ERβ showed that diethanolamine derivative of 4-trifluoromethyl Ph derivative 30 displayed 77.5-fold strong binding affinity towards ERα (IC50 = 0.004 μM) as compared to ERβ (IC50 = 0.31 μM). The calculated RBA value of compound 30 indicated that it has greater affinity with ER than estradiol. By docking studies, we demonstrated that high binding affinity with ERα is due to binding orientation and interaction of CF3 with a number of key amino acid residues present in the active site of ERα.

Bioorganic & Medicinal Chemistry Letters published new progress about Amino acids Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 598-50-5 belongs to class isoquinoline, name is 1-Methylurea, and the molecular formula is C2H6N2O, Name: 1-Methylurea.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Wang, Yanru published the artcileNonmetal-catalyzed hydroamination of ynamides with amines, Application In Synthesis of 5961-59-1, the main research area is alkylamino phenylimine preparation; aniline ynamide triflic acid catalyst regioselective hydroamination; alkenyl diamine preparation; secondary amine ynamide triflic acid catalyst regioselective diastereoselective hydroamination.

The first metal-free catalytic regioselective hydroamination of ynamides with primary and secondary amines were achieved by using TfOH as the catalyst under mild reaction conditions. This appealing strategy provided the corresponding N-arylimines and ethene-1,1-diamines in good to excellent yields with wide functional group tolerance. Furthermore, their applications in 2-aminoindole synthesis was presented.

Organic Chemistry Frontiers published new progress about Alkenes Role: PRP (Properties), SPN (Synthetic Preparation), PREP (Preparation). 5961-59-1 belongs to class isoquinoline, name is 4-Methoxy-N-methylaniline, and the molecular formula is C8H11NO, Application In Synthesis of 5961-59-1.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Cao, Wenli published the artcileConstruction of Coplanar Bicyclic Backbones for 1,2,4-Triazole-1,2,4-Oxadiazole-Derived Energetic Materials, Computed Properties of 1455-77-2, the main research area is explosive azoleoxadiazole coplanar bicyclic backbone construction safety; TG-DSC-MS-FTIR; bicyclic backbone combination; clean synthesis; nitramino functionalization; triazole-oxadiazole.

Combining different nitrogen-rich heterocycles into a mol. can fine-tune its energetic performance and phys. properties as well as its safety for use in energetic materials. Here, 1,2,4-oxadiazole was incorporated into 1,2,4-triazole to construct new energetic backbones. 3-(5-Amino-1H-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-5-amine (5) was designed and synthesized. Nitramino-functionalized N-(5-(5-amino-1,2,4-oxadiazol-3-yl)-3H-1,2,4-triazol-3-yl)nitramide (6) and N-(5-(5-(nitramino)-1,2,4-oxadiazol-3-yl)-3H-1,2,4-triazol-3-yl)nitramide (7) were also obtained, and two series of corresponding nitrogen-rich salts were prepared, leading to the creation of new energetic compounds All derivatives were fully characterized, and five of them were further confirmed by X-ray diffraction. The theor. calculations, energetic performance, safety, and the main decomposition gaseous products of 1,2,4-triazole-1,2,4-oxadiazole-derived energetic materials were studied. The compound 7 and its dihydroxylammonium salt (7 c) exhibited prominent detonation performance comparable to that of RDX while possessing satisfying thermal stabilities and mech. sensitivities.

Chemistry – A European Journal published new progress about Bicyclic compounds Role: TEM (Technical or Engineered Material Use), USES (Uses). 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Computed Properties of 1455-77-2.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Cao, Wenli published the artcileConstruction of Coplanar Bicyclic Backbones for 1,2,4-Triazole-1,2,4-Oxadiazole-Derived Energetic Materials, Product Details of C2H5N5, the main research area is explosive azoleoxadiazole coplanar bicyclic backbone construction safety; TG-DSC-MS-FTIR; bicyclic backbone combination; clean synthesis; nitramino functionalization; triazole-oxadiazole.

Combining different nitrogen-rich heterocycles into a mol. can fine-tune its energetic performance and phys. properties as well as its safety for use in energetic materials. Here, 1,2,4-oxadiazole was incorporated into 1,2,4-triazole to construct new energetic backbones. 3-(5-Amino-1H-1,2,4-triazol-3-yl)-1,2,4-oxadiazol-5-amine (5) was designed and synthesized. Nitramino-functionalized N-(5-(5-amino-1,2,4-oxadiazol-3-yl)-3H-1,2,4-triazol-3-yl)nitramide (6) and N-(5-(5-(nitramino)-1,2,4-oxadiazol-3-yl)-3H-1,2,4-triazol-3-yl)nitramide (7) were also obtained, and two series of corresponding nitrogen-rich salts were prepared, leading to the creation of new energetic compounds All derivatives were fully characterized, and five of them were further confirmed by X-ray diffraction. The theor. calculations, energetic performance, safety, and the main decomposition gaseous products of 1,2,4-triazole-1,2,4-oxadiazole-derived energetic materials were studied. The compound 7 and its dihydroxylammonium salt (7 c) exhibited prominent detonation performance comparable to that of RDX while possessing satisfying thermal stabilities and mech. sensitivities.

Chemistry – A European Journal published new progress about Bicyclic compounds Role: TEM (Technical or Engineered Material Use), USES (Uses). 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Product Details of C2H5N5.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Neacsu, Madalina published the artcileNutritional and chemical profiling of UK-grown potato bean (Apios americana Medik) reveal its potential for diet biodiversification and revalorisation, Recommanded Product: 4-Methoxyphenylacetic acid, the main research area is Apios americana nutritional chem profiling.

Apios americana Medik, a native American plant has potential as a com. viable Northern European-grown rootcrop, mainly due to its resistance to extreme climate and nutritional quality. Anal. of A. americana sourced from two UK sites; South (51.4690 °N, 1.1150 °W) and North (55.9661 °N, 3.2063 °W) showed that the tubers were a complete source of amino acids (UPLC-TUV anal.), were rich in protein (15.0 ± 0.0160 and 17.3 ± 0.0779%; Vario Max CN anal.), fiber (total non-starch polysaccharides, 10.4 ± 0.570 and 10.6 ± 0.280%; GC anal.) and micronutrients (calcium, manganese, iron, zinc, molybdenum, potassium and phosphorus; ICP-MS anal.). Apios americana tubers were also rich in bioactive phytochems. From the 156 plant metabolites measured using LC-MS/MS anal., genistein was the major phytophenol in both the Southern- and Northern UK tubers (259 ± 12.2 mg Kg-1 and 356 ± 29.9 mg Kg-1 resp.); the peel having similar phytochem. profiles. The protein and fiber content of the leaves (17.3 ± 0.0434% and 11.7 0.0445%) and rhizomes (18.4 ± 0.0152% and 13.5 ± 0.590%) were significantly higher (p < 0.05) than the tubers. The leaves were also a good source of anthocyanins; delphinidin and cyanidin (840 ± 137 and 3934 ± 176 mg Kg-1 resp.). Cultivation of A. americana as a high-protein staple-crop has enormous potential in Northern European countries for human nutrition, diet diversification, and use in livestock diets. Journal of Food Composition and Analysis published new progress about Anthocyanins Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, Recommanded Product: 4-Methoxyphenylacetic acid.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Batisse, Chloe published the artcileEfficient asymmetric synthesis of aryl difluoromethyl sulfoxides and their use to access enantiopure α-difluoromethyl alcohols, Application In Synthesis of 86-51-1, the main research area is difluoromethyl sulfoxide carbonyl compound diastereoselective condensation; hydroxysulfoxide difluoromethyl preparation.

A method developed to access highly stereoenriched α,α-difluoro-β-hydroxysulfoxides through the condensation of the enantiopure difluoromethyl sulfoxide on carbonyl derivatives It was noteworthy that highly diastereo- and enantioenriched α,α-difluoro-β-hydroxysulfoxides can also be accessed after the diastereoselective reduction of highly enantioenriched α,α-difluoro-β-ketosulfoxides. Finally, the expected difluoromethyl-substituted alcs. can be obtained after removal of the chiral auxiliary with complete retention of stereoenrichment at carbon.

Tetrahedron published new progress about Alcohols Role: PRP (Properties), SPN (Synthetic Preparation), PREP (Preparation). 86-51-1 belongs to class isoquinoline, name is 2,3-Dimethoxybenzaldehyde, and the molecular formula is C9H10O3, Application In Synthesis of 86-51-1.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Schaper, Jonas L. published the artcileFate of Trace Organic Compounds in the Hyporheic Zone: Influence of Retardation, the Benthic Biolayer, and Organic Carbon, Recommanded Product: Diatrizoic Acid, the main research area is trace organic compound fate hyporheic zone lowland river Germany.

The fate of 28 trace organic compounds (TrOC) in the hyporheic zone (HZ) of an urban lowland river in Berlin, Germany, was assessed. Water was were collected hourly over 17-h from the river and at three HZ depths using mini-point samplers. Four relatively variable time series were subsequently used to calculate first-order removal rates and retardation coefficients with a one-dimensional reactive transport model. Reversible sorption processes led to substantial retardation of many TrOC along the studied hyporheic flow path. Some TrOC (e.g., dihydroxy-carbamazepine, O-desmethylvenlafaxine, venlafaxine) were stable in the HZ; others were readily removed with half-lives in the first 10-cm of the HZ of 0.1 ± 0.01 h (iopromide) to 3.3 ± 0.3 h (tetramadol). Others were readily removed with half-lives in the first 10-cm of the HZ from 0.1 ± 0.01 h for iopromide to 3.3 ± 0.3 h for tramadol. Removal rate constants of the majority of reactive TrOC were highest in the first 10-cm of the HZ, where removal of biodegradable dissolved organic matter was also highest. Since conditions were oxic along the top 30-cm of the studied flow path, the authors attributed this finding to high microbial activity typically associated with the shallow HZ. Hence frequent, short vertical hyporheic exchange flows could be more important for reach-scale TrOC removal than long, lateral hyporheic flow paths.

Environmental Science & Technology published new progress about Dispersion of materials (hyporheic zone water and sediment thermal trace organic). 117-96-4 belongs to class isoquinoline, name is Diatrizoic Acid, and the molecular formula is C11H9I3N2O4, Recommanded Product: Diatrizoic Acid.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Xiao, Zhangping published the artcile7-Hydroxycoumarins Are Affinity-Based Fluorescent Probes for Competitive Binding Studies of Macrophage Migration Inhibitory Factor, HPLC of Formula: 104-01-8, the main research area is hydroxycoumarins fluorescent probes macrophage migration inhibitory factor binding assay.

Macrophage migration inhibitory factor (MIF) is a cytokine with key roles in inflammation and cancer, which qualifies it as a potential drug target. Apart from its cytokine activity, MIF also harbors enzyme activity for keto-enol tautomerization. MIF enzymic activity has been used for identification of MIF binding mols. that also interfere with its biol. activity. However, MIF tautomerase activity assays are troubled by irregularities, thus creating a need for alternative methods. In this study, we identified a 7-hydroxycoumarin fluorophore with high affinity for the MIF tautomerase active site (Ki = 18±1 nM) that binds with concomitant quenching of its fluorescence. This property enabled development of a novel competition-based assay format to quantify MIF binding. We also demonstrated that the 7-hydroxycoumarin fluorophore interfered with the MIF-CD74 interaction and inhibited proliferation of A549 cells. Thus, we provide a high-affinity MIF binder as a novel tool to advance MIF-oriented research.

Journal of Medicinal Chemistry published new progress about CD74 antigens Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 104-01-8 belongs to class isoquinoline, name is 4-Methoxyphenylacetic acid, and the molecular formula is C9H10O3, HPLC of Formula: 104-01-8.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Hinneh, Michael published the artcileAssessing the influence of pod storage on sugar and free amino acid profiles and the implications on some Maillard reaction related flavor volatiles in Forastero cocoa beans, Synthetic Route of 21834-92-4, the main research area is pod storage sugar amino acid Maillard reaction; flavor volatile Forastero cocoa bean; Amino acids; Cocoa; Flavor precursors; Flavor/aroma volatile; Pod storage; Reducing sugars.

The practice of pod storage (PS) has been applied in many cocoa producing countries, especially by Ghanaian farmers over the years. However, the study of PS has not received much attention, hence, until now, its potential impact on specific flavor precursor development and implications on the flavor of cocoa beans still remains uncovered. The study was therefore aimed at exploring this possibility through physico-chem. and flavor precursor analyses, carried out on equally fermented and dried pod stored (0, 3 and 7 days) Ghanaian cocoa beans. Flavor anal. was also conducted on equally roasted pod stored cocoa beans. Through visual assessment of the pods, pulp and beans, the compelling impact of PS on fermentation index (FI) and nib acidity could be demonstrated by the various biochem. and phys. changes such as respiration, moisture reduction, and cellular degradation, occurring during the process. Whereas the entire reaction of sugar degradation may be deemed complex, a clear relationship between the FI, nib acidity and the glucose content was observed Also, PS was found to increase with marginal increase in total reducing sugars (glucose and fructose). Although the concentration of free amino acids was directly proportional to the duration of PS, within the framework of this study, a significant difference (p < .05) was only observed in the case of extended duration (7 days). Overall, 7 PS seemed to have enhanced the formation of more volatiles. This was followed by 0 PS and finally 3 PS. Suggestively, these findings could provide some indications in explaining the typical flavor profiles of the Ghanaian cocoa beans, considering the fact that 87.8% of Ghanaian farmers adhere to this practice. Meanwhile, for the chocolate industry, the surging demand for cocoa/chocolate products exhibiting unique flavors, could be partly addressed by adopting PS as a tool for varietizing the flavor capacity of ""bulk"" cocoa through the expression or suppression of specific flavor precursors in the raw material on the farm level, which comes with almost no addnl. cost. Food Research International published new progress about Carbohydrates Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 21834-92-4 belongs to class isoquinoline, name is 5-Methyl-2-phenylhex-2-enal, and the molecular formula is C13H16O, Synthetic Route of 21834-92-4.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Albak, F. published the artcileEffect of cinnamon powder addition during conching on the flavor of dark chocolate mass, Computed Properties of 21834-92-4, the main research area is dark chocolate mass food flavor cinnamon powder; Chocolate; Cinnamon; Conching; Gas chromotography mass spectrometry; Olfactometry; SPME.

In the present study, refined dark chocolate mix was conched with the addition of finely powd. cinnamon in a laboratory-style conching machine to evaluate its aroma profile both anal. and sensorially. The anal. determinations were carried out by a combination of solid phase micro extraction (SPME)-gas chromatog. (GC)-mass spectroscopy (MS) and-olfactometry(O), while the sensory evaluation was made with trained panelists. The optimum conditions for the SPME were found to be CAR/PDMS as the fiber, 60 °C as the temperature, and 60 min as the time. SPME analyses were carried out at 60 °C for 60 min with toluene as an internal standard 26 compounds were monitored before and after conching. The unconched sample had a significantly higher fruity odor value than the conched sample. This new product was highly acceptable according to the overall inclination test. However some of textural properties, such as coarseness, and hardness were below the general preference.

Journal of Food Science and Technology (New Delhi, India) published new progress about Carbohydrates Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 21834-92-4 belongs to class isoquinoline, name is 5-Methyl-2-phenylhex-2-enal, and the molecular formula is C13H16O, Computed Properties of 21834-92-4.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem