Month: October 2022

Tsui, Brian T. H.; Sung, Molly M. H.; Kinas, Jenny; Hahn, F. Ekkehardt; Morris, Robert H. published the artcile< A Ruthenium Protic N-Heterocyclic Carbene Complex as a Precatalyst for the Efficient Transfer Hydrogenation of Aryl Ketones>, Reference of 403-41-8, the main research area is bipyridinylimidazolylidene ruthenium pincer complex preparation catalyst reduction aryl ketone; crystal structure bipyridinylimidazolylidene ruthenium pincer complex; mol structure bipyridinylimidazolylidene ruthenium pincer complex.

A neutral azole precursor to a protic N-heterocyclic carbene (pNHC) ligand, 6-((4,5-diphenyl-1H-imidazol-1-yl)methyl)-2,2′-bipyridine (3), was prepared from 6-(bromomethyl)-2,2′-bipyridine (2) and 4,5-diphenylimidazole. [RuCl(pNHC-bpy)(PPh3)2](PF6) (4) bearing a protic, bipyridine-tethered NHC ligand was prepared by refluxing 3 with RuCl2(PPh3)3 and KPF6 in MeOH and was characterized by NMR spectroscopy, mass spectrometry, elemental anal., and a single-crystal x-ray diffraction study. The hydrido complex [RuH(pNHC-bpy)(PPh3)2](PF6) (5) was prepared by reaction of 4 with NaBH4 in EtOH and characterized by NMR and FTIR spectroscopy. Complex 5 was used as the catalyst (0.1 mol % loading) in the transfer hydrogenation of a range of alkyl/aryl ketones in basic iso-PrOH at 60°. Bulky alkyl groups or ortho-substituted aryl groups at the ketones slowed down or inhibited the catalytic transformation. The addition of an excess of PPh3 also slowed the catalysis, providing an indication for a mechanism involving phosphine dissociation, while the addition of an excess of elemental Hg had only a small effect on the conversion. The importance of K cations in the mechanism is consistent with the observation of reduced catalytic conversion when [2,2,2]-cryptand was present or when 1,8-diazabicyclo[5.4.0]undec-7-ene was used as the base. A plausible homogeneous catalysis mechanism involving the innersphere addition of hydride to the substrate in the transition state TS1 is supported by d. functional theory calculations where the K ion has replaced the H atom of the N-H group in a protic NHC.

Organometallics published new progress about Alkylidenes Role: CAT (Catalyst Use), PEP (Physical, Engineering or Chemical Process), PRP (Properties), SPN (Synthetic Preparation), USES (Uses), PROC (Process), PREP (Preparation) (Ru pincer complexes). 403-41-8 belongs to class alcohols-buliding-blocks, and the molecular formula is C8H9FO, Reference of 403-41-8.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Molaei, Somayeh; Tamoradi, Taiebeh; Ghadermazi, Mohammad; Ghorbani-Choghamarani, Arash published the artcile< Synthesis and characterization of MCM-41@AMPD@Zn as a novel and recoverable mesostructured catalyst for oxidation of sulfur containing compounds and synthesis of 5-substituted tetrazoles>, Recommanded Product: 2-(Phenylthio)ethanol, the main research area is mesoporous silica zinc bound preparation recyclable oxidation cycloaddition catalyst; sulfoxide disulfide preparation; tetrazole preparation; oxidation sulfide thiol peroxide zinc bound mesoporous silica catalyst; cycloaddition azide nitrile zinc bound mesoporous silica catalyst.

Zinc bound to mesoporous silica MCM-41 functionalized with (3-chloropropyl)trimethoxysilane and 2-amino-2-methyl-1,3-propanediol was prepared as a recyclable catalyst for solvent-free oxidation of sulfides and thiols with H2O2 to form sulfides and disulfides, resp., and for the cycloaddition of NaN3 to nitriles in PEG-400 to yield tetrazoles. The catalyst was used eight times for oxidation and cycloaddition reactions with < 10% decrease in yield over the eight reaction cycles. Microporous and Mesoporous Materials published new progress about Chemoselectivity. 699-12-7 belongs to class alcohols-buliding-blocks, and the molecular formula is C8H10OS, Recommanded Product: 2-(Phenylthio)ethanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Yu, Irene S.; Loree, Jonathan M. published the artcile< FOLFOXIRI plus Bevacizumab Versus FOLFOX plus Panitumumab for Metastatic Left-Sided RAS / BRAF Wild-Type Colorectal Cancer: Which ′′Side′′ Are You On?>, Product Details of C20H21CaN7O7, the main research area is review FOLFOXIRI bevacizumab FOLFOX panitumumab RAS BRAF colorectal cancer.

A review. This commentary focuses on the results of the study by Pietrantonio et al., which evaluated the clin. conundrum of triplet vs. doublet chemotherapy in combination with targeted therapy for metastatic left-sided RAS/BRAF wild-type colorectal cancer and appears in this issue. Both FOLFOXIRI [fluorouracil, leucovorin, oxaliplatin, and irinotecan] plus bevacizumab and FOLFOX [fluorouracil, leucovorin, and oxaliplatin] plus panitumumab have shown impressive activity in this population; however, the two have not been directly compared. The article by Pietrantonio et al. presents a propensity score-adjusted anal. using information from five previous randomized trials and provides best available evidence comparing these regimens. This commentary will discuss their results and how their findings fit in current treatment paradigms.

Oncologist published new progress about Antitumor agents. 1492-18-8 belongs to class alcohols-buliding-blocks, and the molecular formula is C20H21CaN7O7, Product Details of C20H21CaN7O7.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Mollaei, Mahdi; Ghoreishi, Sayed Mehdi; Khoobi, Asma published the artcile< Multivariate optimization and validation of a new procedure for simultaneous determination of folic acid and folinic acid based on enhancement effect of n-dodecylpyridinium chloride>, Reference of 1492-18-8, the main research area is folinic acid dodecylpyridinium chloride optimization enhancement effect.

The present study is a first report about of an electrochem. sensor for simultaneous determination of folic acid (FA) and calcium folinate (CF). Also, the work is a first successful application of n-dodecylpyridinium chloride (DPC) as a modifier in simultaneous measurement of folates. This study is based on the adsorption of cationic surfactants at the surface of a carbon paste electrode (CPE) to improve the electrochem. response of the tow analytes. The enhancement effect of DPC is compared with CTAB by differential pulse voltammetry (DPV) technique and DPC shows the better results as a modifier. Other novelty of the work is application of multivariate optimization for optimization of effective parameters in the voltammetric peak current of the analytes. Under the optimized conditions, a peak separation of CF and FA is higher than 270 mV. CPE in the presence of DPC shows wide linear responses for CF and FA in the concentration ranges of 0.1-100.0μM and 0.05-10.0μM with detection limits of 24.0 nM and 7.5 nM (3s), resp. CPE in the presence of DPC exhibits good repeatability and stability for the two analytes. At the last, CPE in the presence of DPC was successfully applied to the simultaneous detection of FA and CF in urine real samples.

Microchemical Journal published new progress about Adsorption. 1492-18-8 belongs to class alcohols-buliding-blocks, and the molecular formula is C20H21CaN7O7, Reference of 1492-18-8.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Han, Xu; Song, Ning; Saidahmatov, Abdusaid; Wang, Peipei; Wang, Yong; Hu, Xiaobei; Kan, Weijuan; Zhu, Wei; Gao, Lixin; Zeng, Mingjie; Wang, Yujie; Li, Chunpu; Li, Jia; Liu, Hong; Zhou, Yubo; Wang, Jiang published the artcile< Rational Design and Development of Novel CDK9 Inhibitors for the Treatment of Acute Myeloid Leukemia>, Recommanded Product: 3-Aminocyclohexanol, the main research area is acute myeloid leukemia CDK9 inhibitors antiproliferative activity bioavailability SAR.

CDK9 is an essential drug target correlated to the development of acute myeloid leukemia (AML). Starting from the hit compound 10, which was discovered through a screening of our inhouse compound library, the structural modifications were carried out based on the bioisosterism and scaffold hopping strategies. Consequently, compound 37 (I) displayed the optimal CDK9 inhibitory activity with an IC50 value of 5.41 nM, which was nearly 1500-fold higher than compound 10. In addition, compound 37 exhibited significant antiproliferative activity in broad cancer cell lines. Further investigation of in vivo properties demonstrated that compound 37 could be orally administrated with an acceptable bioavailability (F = 33.7%). In MV-4-11 s.c. xenograft mouse model, compound 37 (7.5 mg/kg) could significantly suppress the tumor progression with a T/C value of 27.80%. Compound 37 represents a promising lead compound for the development of a novel class of CDK9 inhibitors for the treatment of acute myeloid leukemia.

Journal of Medicinal Chemistry published new progress about Acute myeloid leukemia. 6850-39-1 belongs to class alcohols-buliding-blocks, and the molecular formula is C6H13NO, Recommanded Product: 3-Aminocyclohexanol.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Das, Sabuj Kanti; Bhanja, Piyali; Kundu, Sudipta K.; Mondal, Saptarsi; Bhaumik, Asim published the artcile< Role of Surface Phenolic-OH Groups in N-Rich Porous Organic Polymers for Enhancing the CO2 Uptake and CO2/N2 Selectivity: Experimental and Computational Studies>, Electric Literature of 4396-13-8, the main research area is surface phenolic porous carbon dioxide polyamine aminoplast; CO2 uptake; N-rich porous surface; phenolic-OH groups; porous organic polymers; selective CO2/N2 adsorption.

Design and successful synthesis of phenolic-OH and amine-functionalized porous organic polymers as adsorbent for postcombustion CO2 uptake from flue gas mixtures along with high CO2/N2 selectivity is a very demanding research area in the context of developing a suitable adsorbent to mitigate greenhouse gases. Herein, we report three triazine-based porous organic polymers TrzPOP-1, -2, and -3 through the polycondensation of two triazine rings containing tetraamine and three dialdehydes. These porous organic polymers possess high Brunauer-Emmett-Teller (BET) surface areas of 995, 868, and 772 m2 g-1, resp. Out of the three materials, TrzPOP-2 and TrzPOP-3 contain addnl. phenolic-OH groups along with triazine moiety and secondary amine linkages. At 273 K, TrzPOP-1, -2, and -3 displayed CO2 uptake capacities of 6.19, 7.51, and 8.54 mmol g-1, resp., up to 1 bar pressure, which are considerably high among all porous polymers reported till date. Despite the lower BET surface area, TrzPOP-2 and TrzPOP-3 containing phenolic-OH groups showed higher CO2 uptakes. To understand the CO2 adsorption mechanism, we have further performed the quantum chem. studies to analyze noncovalent interactions between CO2 mols. and different polar functionalities present in these porous polymers. TrzPOP-1, -2, and -3 have the capability of selective CO2 uptake over that of N2 at 273 K with the selectivity of 61:1, 117:1, and 142:1 by using the initial slope comparing method, along with 108.4, 140.6, and 167.4 by using ideal adsorbed solution theory (IAST) method, resp. On the other hand, at 298 K, the calculated CO2/N2 selectivities in the initial slope comparing method for TrzPOP-1, -2, and -3 are 27:1, 72:1, and 96:1, whereas those using IAST method are 42.1, 75.7, and 94.5, resp. Cost effective and scalable synthesis of these porous polymeric materials reported herein for selective CO2 capture has a very promising future for environmental clean-up.

ACS Applied Materials & Interfaces published new progress about Activation energy. 4396-13-8 belongs to class alcohols-buliding-blocks, and the molecular formula is C8H6O5, Electric Literature of 4396-13-8.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Cabeza, Javier A.; Fernandez-Colinas, Jose M.; Garcia-Alvarez, Joaquin; Garcia-Alvarez, Pablo; Laglera-Gandara, Carlos J.; Ramos-Martin, Marina published the artcile< Dipyrromethane-Based PGeP Pincer Germyl Rhodium Complexes>, SDS of cas: 403-41-8, the main research area is crystal structure mol dipyrromethane pincer germyl rhodium complex preparation; dipyrromethane pincer germyl rhodium complex hydroboration catalyst styrene catecholborane; PGeP pincers; germylenes; hydroboration; pincer complexes; rhodium.

A family of germyl rhodium complexes derived from the PGeP germylene 2,2′-bis(di-isopropylphosphinylmethyl)-5,5′-dimethyldipyrromethane-1,1′-diylgermanium(II), Ge(pyrmPiPr2)2CMe2 (1), has been prepared Germylene 1 reacted readily with [RhCl(PPh3)3] and [RhCl(cod)(PPh3)] (cod=1,5-cyclooctadiene) to give, in both cases, the PGeP-pincer chloridogermyl rhodium(I) derivative [Rh{κ3P,Ge,P-GeCl(pyrmPiPr2)2CMe2}(PPh3)] (2). Similarly, the reaction of 1 with [RhCl(cod)(MeCN)] afforded [Rh{κ3P,Ge,P-GeCl(pyrmPiPr2)2CMe2}(MeCN)] (3). The methoxidogermyl and methylgermyl rhodium(I) complexes [Rh{κ3P,Ge,P-GeR(pyrmPiPr2)2CMe2}(PPh3)] (R=OMe, 4; Me, 5) were prepared by treating complex 2 with LiOMe and LiMe, resp. Complex 5 readily reacted with CO to give the carbonyl rhodium(I) derivative [Rh{κ3P,Ge,P-GeR(pyrmPiPr2)2CMe2}(CO)] (6), with HCl, HSnPh3 and Ph2S2 rendering the pentacoordinate methylgermyl rhodium(III) complexes [RhHX{κ3P,Ge,P-GeMe(pyrmPiPr2)2CMe2}] (X=Cl, 7; SnPh3, 8) and [Rh(SPh)2{κ3P,Ge,P-GeMe(pyrmPiPr2)2CMe2}] (9), resp., and with H2 to give the hexacoordinate derivative [RhH2{κ3P,Ge,P-GeMe(pyrmPiPr2)2CMe2}(PPh3)] (10). Complexes 3 and 5 are catalyst precursors for the hydroboration of styrene, 4-vinyltoluene and 4-vinylfluorobenzene with catecholborane under mild conditions.

Chemistry – A European Journal published new progress about Crystal structure. 403-41-8 belongs to class alcohols-buliding-blocks, and the molecular formula is C8H9FO, SDS of cas: 403-41-8.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Tyula, Yunes Abbasi; Zabardasti, Abedien; Goudarziafshar, Hamid; Kucerakova, Monika; Dusek, Michal published the artcile< A new supramolecular zinc(II) complex containing 4-biphenylcarbaldehyde isonicotinoylhydrazone ligand: Nanostructure synthesis, catalytic activities and Hirshfeld surface analysis>, Product Details of C8H10OS, the main research area is Hirshfeld surface analysis intermol interaction zinc biphenyl carboxaldehyde complex; sulfide selective oxidation sulfoxide preparation zinc biphenyl carboxaldehyde catalyst; crystal structure zinc dibromo biphenyl carboxaldehyde complex preparation.

A new potentially tridentate hydrazone ligand, 4-biphenylcarbaldehyde isonicotinoylhydrazone (4-bpinh), was prepared by the condensation of biphenyl-4-carboxaldehyde with isonicotinic acid hydrazide. Then, its nano-sized and single crystal of zinc complex were synthesized using sonochem. and heat gradient methods, resp. The structure of complex, [Zn(4-bpinh)2Br2] (1), was determined by single-crystal x-ray diffraction, FTIR, and elemental anal., and the nano-structure of complex was characterized by FTIR, XRD, and SEM. The single crystal x-ray structure of complex showed that the metal center has a distorted tetrahedral geometry and the hydrazone ligand acts as monodentate trough the pyridyl N atom. Moreover, the anal. of crystal structures indicates the existence of intermol. interactions such as N/C-H···Br/O, N/C-H···π, and π···π stacking in the stabilization of complex structure which finally gave the three-dimensional supramol. structure. Also, the impact of this interactions was more studied using Hirshfeld surface anal. and corresponding 2D fingerprint plots. Furthermore, the catalytic activity of 1 was studied in the selective oxidation of various sulfides to corresponding sulfoxides using hydrogen peroxide as the oxidative agent.

Applied Organometallic Chemistry published new progress about Crystal structure. 699-12-7 belongs to class alcohols-buliding-blocks, and the molecular formula is C8H10OS, Product Details of C8H10OS.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Eissa, Ibrahim H.; Alesawy, Mohamed S.; Saleh, Abdulrahman M.; Elkaeed, Eslam B.; Alsfouk, Bshra A.; El-Attar, Abdul-Aziz M. M.; Metwaly, Ahmed M. published the artcile< Ligand and Structure-Based In Silico Determination of the Most Promising SARS-CoV-2 nsp16-nsp10 2'-o-Methyltransferase Complex Inhibitors among 3009 FDA Approved Drugs>, Recommanded Product: Calcium folinate, the main research area is SARSCoV2 nsp16 nsp10 complex inhibitor in silico mol docking; FDA approved drugs; MD simulations; MMPBSA; SARS-CoV-2 nsp16-nsp10 2′-o-methyltransferase; molecular docking; molecular fingerprints; structural similarity.

As a continuation of our earlier work against SARS-CoV-2, seven FDA-approved drugs were designated as the best SARS-CoV-2 nsp16-nsp10 2′-o-methyltransferase (2’OMTase) inhibitors through 3009 compounds The in silico inhibitory potential of the examined compounds against SARS-CoV-2 nsp16-nsp10 2′-o-methyltransferase (PDB ID: (6W4H) was conducted through a multi-step screening approach. At the beginning, mol. fingerprints experiment with SAM (S-Adenosylmethionine), the co-crystallized ligand of the targeted enzyme, unveiled the resemblance of 147 drugs. Then, a structural similarity experiment recommended 26 compounds Therefore, the 26 compounds were docked against 2’OMTase to reveal the potential inhibitory effect of seven promising compounds (Protirelin, (1187), Calcium folinate (1913), Raltegravir (1995), Regadenoson (2176), Ertapenem (2396), Methylergometrine (2532), and Thiamine pyrophosphate hydrochloride (2612)). Out of the docked ligands, Ertapenem (2396) showed an ideal binding mode like that of the co-crystallized ligand (SAM). It occupied all sub-pockets of the active site and bound the crucial amino acids. Accordingly, some MD simulation experiments (RMSD, RMSF, Rg, SASA, and H-bonding) have been conducted for the 2’OMTase-Ertapenem complex over 100 ns. The performed MD experiments verified the correct binding mode of Ertapenem against 2’OMTase exhibiting low energy and optimal dynamics. Finally, MM-PBSA studies indicated that Ertapenem bonded advantageously to the targeted protein with a free energy value of -43 KJ/mol. Furthermore, the binding free energy anal. revealed the essential amino acids of 2’OMTase that served pos. to the binding. The achieved results bring hope to find a treatment for COVID-19 via in vitro and in vivo studies for the pointed compounds

Molecules published new progress about Antiviral agents. 1492-18-8 belongs to class alcohols-buliding-blocks, and the molecular formula is C20H21CaN7O7, Recommanded Product: Calcium folinate.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts

Li, Hao; Jilili, Yikelamu; Zhen, Weijun; Zhao, Ling published the artcile< Preparation, performance and structure-properties relationship of poly(lactic acid)/modified saponite nanocomposites based on thiol-ene click chemistry>, Category: alcohols-buliding-blocks, the main research area is structure property relationship polylactic acid modified saponite nanocomposite.

Saponite (SA)-mercaptopropyl polyhedral oligomeric silsesquioxane (POSS-SH) grafted poly (L-lactic acid) (SA-POSS-PLLA) was synthesized by thiol-ene click chem. SA-POSS-PLLA was characterized by Fourier transform IR spectroscopy and XPS. When 0.3 wt% SA-POSS-PLLA was used as a modifier in poly(lactic acid) (PLA), the impact strength and elongation at break of PLA/SA-POSS-PLLA nanocomposites were increased by 1.73 times and 4.25 times compared with pure PLA, resp. The differential scanning calorimeter anal. showed that the crystallinity of PLA/SA-POSS-PLLA nanocomposites was increased from 7.74% to 30.32%. The addition of SA-POSS-PLLA increased the crystallization rate of PLA and significantly reduced the grain size of PLA, which also was proved by polarization optical microscopy anal. Rheonaut technol. for simultaneous rheometry and FTIR demonstrated that the reason why the addition of SA-POSS-PLLA nanoparticles accelerated the crystallization rate of PLA was that SA-POSS-PLLA nanoparticles promoted the adjustment of C-O-C structure and -CH3 group in the main mol. chain of PLA.

Polymer-Plastics Technology and Materials published new progress about Binding energy. 627-27-0 belongs to class alcohols-buliding-blocks, and the molecular formula is C4H8O, Category: alcohols-buliding-blocks.

Referemce:
Alcohol – Wikipedia,
Alcohols – Chemistry LibreTexts