Month: November 2022

Allott, Louis published the artcileRadiolabelling an ¹⁸F biologic via facile IEDDA “click” chemistry on the GE FASTLab platform, Recommanded Product: (4-(6-Methyl-1,2,4,5-tetrazin-3-yl)phenyl)methanamine trifluoroacetic acid, the publication is Reaction Chemistry & Engineering (2021), 6(6), 1070-1078, database is CAplus and MEDLINE.

The use of biologics in positron emission tomog. (PET) imaging is an important area of radiopharmaceutical development and new automated methods are required to facilitate their production We report an automated radiosynthesis method to produce a radiolabeled biol. via facile inverse electron demand Diels-Alder (IEDDA) “click” chem. on a single GE FASTLab cassette. We exemplified the method by producing a fluorine-18 radiolabeled interleukin-2 (IL2) radioconjugate from a trans-cyclooctene (TCO) modified IL2 precursor. The radioconjugate was produced using a fully automated radiosynthesis on a single FASTLab cassette in a decay-corrected radiochem. yield (RCY, d.c.) of 19.8 ± 2.6% in 110 min (from start of synthesis); the molar activity was 132.3 ± 14.6 GBq μmol^-1. The in vitro uptake of [¹⁸F]TTCO-IL2 correlated with the differential receptor expression (CD25, CD122, CD132) in PC3, NK-92 and activated human PBMCs. The automated method may be adapted for the radiosynthesis of any TCO-modified protein via IEDDA chem.

Reaction Chemistry & Engineering published new progress about 1466420-02-9. 1466420-02-9 belongs to catalysis-chemistry, auxiliary class Copper-Free Click Chemistry,Tetrazine, name is (4-(6-Methyl-1,2,4,5-tetrazin-3-yl)phenyl)methanamine trifluoroacetic acid, and the molecular formula is C12H12F3N5O2, Recommanded Product: (4-(6-Methyl-1,2,4,5-tetrazin-3-yl)phenyl)methanamine trifluoroacetic acid.

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

Levens, Alison published the artcileEnantioselective (4+2) Annulation of Donor-Acceptor Cyclobutanes by N-Heterocyclic Carbene Catalysis, Recommanded Product: (E)-3-(2,4-Dimethoxyphenyl)acrylic acid, the publication is Angewandte Chemie, International Edition (2016), 55(52), 16136-16140, database is CAplus and MEDLINE.

Herein we report the enantioselective (4+2) annulation of donor-acceptor cyclobutanes and unsaturated acyl fluorides using N-heterocyclic carbene catalysis. The reaction allows a 3-step synthesis of cyclohexyl β-lactones (25 examples) in excellent chem. yield (most â‰?0 %) and stereochem. integrity (all >20:1 d.r., most â‰?7:3 e.r.). Mechanistic studies support ester enolate Claisen rearrangement, while derivatizations provide functionalized cyclohexenes and dihydroquinolinones.

Angewandte Chemie, International Edition published new progress about 16909-09-4. 16909-09-4 belongs to catalysis-chemistry, auxiliary class Alkenyl,Carboxylic acid,Benzene,Ether, name is (E)-3-(2,4-Dimethoxyphenyl)acrylic acid, and the molecular formula is C11H12O4, Recommanded Product: (E)-3-(2,4-Dimethoxyphenyl)acrylic acid.

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

Hirauchi, Kazumasa published the artcileStudies on the phosphorimetric determination of amines with halonitro compounds. II. Substituent effect on the fluorescence and phosphorescence of 4′-substituted 4-nitrodiphenylamines and 2-(substituted anilino)-5-nitropyridines, Formula: C12H9N3O4, the publication is Chemical & Pharmaceutical Bulletin (1979), 27(5), 1120-4, database is CAplus.

Substituent effects on the fluorescence and phosphorescence of 4′-substituted 4-nitrodiphenylamines and 2-(substituted anilino)-5-nitropyridines at 77 K were examined Satisfactory linear relationships between Hammett’s substituent constant σ and the lowest excited singlet energy levels, the lowest excited triplet energy levels, and the triplet decay constants of the compounds were obtained.

Chemical & Pharmaceutical Bulletin published new progress about 1821-27-8. 1821-27-8 belongs to catalysis-chemistry, auxiliary class Nitro Compound,Amine,Benzene, name is Bis(4-nitrophenyl)amine, and the molecular formula is C12H9N3O4, Formula: C12H9N3O4.

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

Mendes, Sofia R. O. published the artcileVibrational and conformational studies of 1,3-diaminopropane and its N-deuterated and N-ionized derivatives, COA of Formula: C3H12Cl2N2, the publication is New Journal of Chemistry (2017), 41(18), 10132-10147, database is CAplus.

A vibrational and conformational anal. of the linear alkylpolyamine 1,3-diaminopropane (1,3-dap) is reported, using vibrational spectroscopy (Raman, Fourier Transform IR (FTIR) and inelastic neutron scattering (INS)) coupled to theor. approaches at the D. Functional Theory (DFT) level. The quantum mech. calculations were carried out using the mPW1PW functional and the 6-31G* basis set, for the isolated mol., the condensed phase, and solutions in both water and carbon tetrachloride. The most stable geometries were calculated to be GGG’G and TG’GG’ for the gaseous phase and the CCl₄ solution, and TTTT, TGTT and TTTG for the condensed phase and the aqueous solution Since the relative populations obtained for the different 1,3-dap conformers were very similar, the corresponding exptl. spectra reflect the presence of a mixture of species. The vibrational data obtained for 1,3-dap in its pure form – unprotonated, totally protonated (N-ionized) and N-deuterated – as well as for its aqueous and CCl₄ solutions, were assigned in the light of the theor. results presently obtained and exptl. data previously gathered for similar compounds

New Journal of Chemistry published new progress about 10517-44-9. 10517-44-9 belongs to catalysis-chemistry, auxiliary class Salt,Amine,Aliphatic hydrocarbon chain, name is Propane-1,3-diamine dihydrochloride, and the molecular formula is C3H12Cl2N2, COA of Formula: C3H12Cl2N2.

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

Farahani, Vahid Jalali published the artcileThe oxidative potential of particulate matter (PM) in different regions around the world and its relation to air pollution sources, Quality Control of 191-07-1, the publication is Environmental Science: Atmospheres, database is CAplus.

In this study, we investigated the impact of urban emission sources on the chem. composition of ambient particulate matter (PM) as well as the associated oxidative potential. We collected six sets of PM samples in five urban location sites around the world over long time periods varying from weeks to months, intentionally selected for their PM to be dominated by unique emission sources: (1) PM_2.5 produced mainly by traffic emissions in central Los Angeles, United States (US); (2) PM_2.5 dominated by biomass burning in Milan, Italy; (3) PM_2.5 formed by secondary photochem. reactions thus dominated by secondary aerosols in Athens, Greece; (4) PM₁₀ emitted by refinery and dust resuspension in Riyadh, Saudi Arabia (SA); (5) PM₁₀ generated by dust storms in Riyadh, SA, and (6) PM_2.5 produced mainly by industrial and traffic emissions in Beirut, Lebanon. The PM samples were chem. analyzed and their oxidative potential were quantified by employing the dithiothreitol (DTT) assay. Our results revealed that the Milan samples were rich in water soluble organic carbon (WSOC) and PAHs, even exceeding the levels measured on Los Angeles (LA) freeways. The PM in Athens was characterized by high concentrations of inorganic ions, specifically sulfate which was the highest of all PM samples. The ambient PM in LA was impacted by the traffic-emitted primary organic and elemental carbon. Furthermore, the contribution of metals and elements per mass of PM in Riyadh and Beirut samples were more pronounced relative to other sampling areas. The highest intrinsic PM redox activity was observed for PM with the highest WSOC fraction, including Milan (biomass burning) and Athens (secondary organic aerosols, SOA). PM in areas characterized by high metal emissions including dust events, refinery and industry, such as Riyadh and Beirut, had the lowest oxidative potential as assessed by the DTT assay. The results of this study illustrate the impact of major emission sources in urban areas on the redox activity and oxidative potential of ambient PM, providing useful information for developing efficient air pollution control and mitigation policies in polluted areas around the globe.

Environmental Science: Atmospheres 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

Lin, Whei Oh published the artcileNeutral diamide ionophores – phenylenedioxybisacetamides, Safety of 2,2-(1,2-Phenylenebis(oxy))diacetic acid, the publication is Monatshefte fuer Chemie (1982), 113(1), 101-9, database is CAplus.

The title amides (I; R, R¹ = H, alkyl, aryl, cycloalkyl, NRR¹ = heterocycle containing optional O atom, etc.) were prepared I selectively chelated Group IIA cations by picrate extraction from water to CH₂Cl₂. This result was also confirmed by at. absorption measurement. The changes in UV absorption of aromatic rings and amide groups in the ligands upon titration with metal salts in methanol allowed an estimation of the ordering of cation binding.

Monatshefte fuer Chemie published new progress about 5411-14-3. 5411-14-3 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Ether, name is 2,2-(1,2-Phenylenebis(oxy))diacetic acid, and the molecular formula is C10H10O6, Safety of 2,2-(1,2-Phenylenebis(oxy))diacetic acid.

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

Simov, Vladimir published the artcileDiscovery and characterization of novel peptide inhibitors of the NRF2/MAFG/DNA ternary complex for the treatment of cancer, Name: Fmoc-Pro-OH, the publication is European Journal of Medicinal Chemistry (2021), 113686, database is CAplus and MEDLINE.

Pathway activating mutations of the transcription factor NRF2 and its neg. regulator KEAP1 are strongly correlative with poor clin. outcome with pemetrexed/carbo(cis)platin/pembrolizumab (PCP) chemo-immunotherapy in lung cancer. Despite the strong genetic support and therapeutic potential for a NRF2 transcriptional inhibitor, currently there are no known direct inhibitors of the NRF2 protein or its complexes with MAF and/or DNA. Herein we describe the design of a novel and high-confidence homol. model to guide a medicinal chem. effort that resulted in the discovery of a series of peptides that demonstrate high affinity, selective binding to the Antioxidant Response Element (ARE) DNA and thereby displace NRF2-MAFG from its promoter, which is an inhibitory mechanism that to our knowledge has not been previously described. In addition to their activity in electrophoretic mobility shift (EMSA) and TR-FRET-based assays, we show significant dose-dependent ternary complex disruption of NRF2-MAFG binding to DNA by SPR, as well as cellular target engagement by thermal destabilization of HiBiT-tagged NRF2 in the NCI-H1944 NSCLC cell line upon digitonin permeabilization, and SAR studies leading to improved cellular stability. We report the characterization and unique profile of lead peptide (1), [(Ac-DELRAKALHIPFPVEKIINLPVVDFNEMMSKEQFN-EAQLALIRDIRRRGKNKVAAQNSRKRKLENIVELEQDLDHLKDEKEKGGhPraA-GSSG-K(DBCO-Cy5)-CONH₂)-(Ac-NGTSLTDEELVTMSVRELNQHLRGLSKEEIVQLKQRRRTLKNRGYAASSRVKRVTQKEELEKQKAELQQEVEKGGDabA-CONH₂)] which we believe to be a useful in vitro tool to probe NRF2 biol. in cancer cell lines and models, while also serving as an excellent starting point for addnl. in vivo optimization toward inhibition of NRF2-driven transcription to address a significant unmet medical need in non-small cell lung cancer (NSCLC).

European Journal of Medicinal Chemistry published new progress about 71989-31-6. 71989-31-6 belongs to catalysis-chemistry, auxiliary class Amino acide derivatives,pyrrolidine, name is Fmoc-Pro-OH, and the molecular formula is C26H41N5O7S, Name: Fmoc-Pro-OH.

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

Zhang, Fa published the artcileA viral insulin-like peptide is a natural competitive antagonist of the human IGF-1 receptor, Related Products of catalysis-chemistry, the publication is Molecular Metabolism (2021), 101316, database is CAplus and MEDLINE.

Natural sources of mol. diversity remain of utmost importance as a reservoir of proteins and peptides with unique biol. functions. We recently identified such a family of viral insulin-like peptides (VILPs). We sought to advance the chem. methods in synthesis to explore the structure-function relationship within these VILPs, and the mol. basis for differential biol. activities relative to human IGF-1 and insulin.Optimized chem. methods in synthesis were established for a set of VILPs and related analogs. These modified forms included the substitution of select VILP chains with those derived from human insulin and IGF-1. Each peptide was assessed in vitro for agonism and antagonism at the human insulin and the human insulin-like growth factor 1 receptor (IGF-1R).We report here that one of these VILPs, lymphocystis disease virus-1 (LCDV1)-VILP, has the unique property to be a potent and full antagonist of the IGF-1R. We demonstrate the coordinated importance of the B- and C-chains of the VILP in regulating this activity. Moreover, mutation of the glycine following the first cysteine in the B-chain of IGF-1 to serine, in concert with substitution to the connecting peptide of LCDV1-VILP, converted native IGF-1 to a high potency antagonist.The results reveal novel aspects in ligand-receptor interactions at the IGF-1 receptor and identify a set of antagonists of potential medicinal importance.

Molecular Metabolism published new progress about 71989-31-6. 71989-31-6 belongs to catalysis-chemistry, auxiliary class Amino acide derivatives,pyrrolidine, name is Fmoc-Pro-OH, and the molecular formula is C38H74Cl2N2O4, Related Products of catalysis-chemistry.

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

Asif, Mohammad published the artcileIn silico activities, toxicity profiles and dug-like properties of some pyridazinyl benzenesulfonamides as a COX-inhibitor and antineoplastic agent, SDS of cas: 2051-95-8, the publication is Latin American Journal of Pharmacy (2021), 40(8), 1762-1769, database is CAplus.

This study was designed to predict in silico cyclooxygenase-2 (COX-2) inhibitory, antineoplastic activities, and toxicity profile of some benzenesulfonamide-pyridazinone derivatives, I [R = C₆H₅, 4-Me-C₆H₄, 4-Et-C₆H₄, etc] since COX-2 inhibitors have significant antineoplastic activity and cardiotoxicity. The result suggested that the biol. activity score has revealed that compounds I [R = 4-CO₂H-C₆H₄, 4-CHO-C₆H₄, 2-anthryl] have the highest protease enzyme inhibitory activity compare to standard drug celecoxib. All the compounds follow Lipinski’s rule of 5 except celecoxib and compound I [R = 2-anthryl]. Predicted ligand-target interaction has showed that celecoxib and compound I [R = 4-Br-C₆H₄] have COX-2 inhibitory activity. Compounds I [R = 4-Me-C₆H₄, 4-Et-C₆H₄,4-F-C₆H₄,4-Cl-C₆H₄, 4-Br-C₆H₄,4-I-C₆H₄, 4-EtO-C₆H₄, 2-naphthyl] targets the cell division control protein homologies with their specific E values. The remaining compounds were carbonic anhydrase inhibitors. Compound I [R = (4-phenylphenyl)] did not show any specific targets. Celecoxib, compound I [R = 4-I-C₆H₄, (4-acetylphenyl)] can act on breast ductal cell carcinoma with probability value (Pa) values0.640, 0.626, and 0.625, resp. Compound I [R = 4-methylbenzohydrazide] act on glioblastoma with Pa value of 0.667. The remaining compound act on non-small cell carcinoma with compound I [R = 4-I-C₆H₄] has a high Pa value of 0.760. All the compounds have the probability of hERG blocking activity except compound <I [R = (4-phenylphenyl)] . Compounds I [R = C₆H₅, 2-naphthyl] and Celecoxib have the highest blocking probability. All the compounds are showing hepatotoxicity among them compounds I [R = 4-Et-C₆H₄, 4-F-C₆H₄, 4-MeO-C₆H₄, 4-EtO-C₆H₄, 4-NH₂-C₆H₄, 4-CHO-C₆H₄, (4-acetylphenyl), (4-acetoxyphenyl), (4-carbamoylphenyl)] have the highest toxicity probability. All the compounds are Ames neg. As carbonic anhydrase enzyme is now a promising therapeutic target for cancer, the present compounds understudy may show promising activity as a COX inhibitor as well as anticancer compounds “CLC pred” results also strengthening our prediction that maximum compounds are better acting on non-small cell lung carcinoma (NSCLC).

Latin American Journal of Pharmacy published new progress about 2051-95-8. 2051-95-8 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Ketone, name is 3-Benzoylpropionicacid, and the molecular formula is C10H10O3, SDS of cas: 2051-95-8.

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

Naoum, Johnny N. published the artcileStirring peptide synthesis to a new level of efficiency, Category: catalysis-chemistry, the publication is Organic Process Research & Development (2022), 26(1), 129-136, database is CAplus.

Accelerating solid-phase synthesis is crucial for accessing a large number of peptides in a short time. Since standard peptide synthesis is usually done under poor diffusion conditions with slow or no mixing of the solid support, acceleration of the process is achieved by applying a large excess of reagents. In this work, overhead stirring and heating were combined to provide accelerated solid-phase peptide synthesis without using an excess of reagent. A new setup that allows both heating and fast stirring was designed specifically for research laboratory-scale peptide synthesis. By increasing the diffusion of both reagents and beads in a narrow dimension reactor, solid-phase reactions were done in seconds and medium-size peptides were synthesized in minutes.

Organic Process Research & Development published new progress about 71989-31-6. 71989-31-6 belongs to catalysis-chemistry, auxiliary class Amino acide derivatives,pyrrolidine, name is Fmoc-Pro-OH, and the molecular formula is C20H19NO4, Category: catalysis-chemistry.

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