Month: November 2022

Sbaraglini, Maria L. published the artcileLipase catalyzed synthesis of alkyl phenylacetates with anticonvulsant activity, Recommanded Product: 4-Nitrophenylacetic acid, the publication is Latin American Journal of Pharmacy (2020), 39(7), 1350-1356, database is CAplus.

Despite the wide spectra of available antiepileptic drugs, one third of the patients still suffer from drug-resistant epilepsy, justifying the ongoing search of novel therapies. The anticonvulsant activity of Pr 4-hydroxybenzoate was previously identified through in silico screening. Here, Candida antarctica B (CAL B) lipase was employed as biocatalyst for the enzymic synthesis of a series of alkyl phenylacetates I (R = H, 4-OH, 4-MeO, 4-NH₂, 4-NO₂; R¹ = Et, Pr) which, based on their mol. similarity to propylparaben, were tested in two acute mice models of seizure (maximal electroshock seizure and s.c. pentylenetetrazol tests). Mol. docking was later applied to explain the observed activities. All the synthesized compounds displayed some degree of protective activity in the maximal electroshock seizure model, whereas none of them showed protection against pentylenetetrazol-induced convulsions. Et 4-methoxyphenylacetate and Pr phenylacetate showed the most promising in vivo results. In consistence with the observed anticonvulsant effects, Pr phenylacetate obtained the best predicted binding energy among the synthesized alkyl phenylacetates.

Latin American Journal of Pharmacy published new progress about 104-03-0. 104-03-0 belongs to catalysis-chemistry, auxiliary class Nitro Compound,Carboxylic acid,Benzene, name is 4-Nitrophenylacetic acid, and the molecular formula is C8H7NO4, Recommanded Product: 4-Nitrophenylacetic acid.

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

Jamaluddin, Aqfan published the artcileLipidated calcitonin gene-related peptide (CGRP) peptide antagonists retain CGRP receptor activity and attenuate CGRP Action In Vivo, Product Details of C20H19NO4, the publication is Frontiers in Pharmacology (2022), 832589, database is CAplus and MEDLINE.

Signaling through calcitonin gene-related peptide (CGRP) receptors is associated with pain, migraine, and energy expenditure. Small mol. and monoclonal antibody CGRP receptor antagonists that block endogenous CGRP action are in clin. use as antimigraine therapies. By comparison, the potential utility of peptide antagonists has received less attention due to suboptimal pharmacokinetic properties. Lipidation is an established strategy to increase peptide half-life in vivo. This study aimed to explore the feasibility of developing lipidated CGRP peptide antagonists that retain receptor antagonist activity in vitro and attenuate endogenous CGRP action in vivo. CGRP peptide analogs based on the archetypal CGRP receptor antagonist, CGRP8-37, were palmitoylated at the N-terminus, position 24, and near the C-terminus at position 35. The antagonist activities of the lipidated peptide analogs were tested in vitro using transfected Cos7 cells expressing either the human or mouse CGRP receptor, amylin subtype 1 (AMY1) receptor, adrenomedullin (AM) receptors, or calcitonin receptor. Antagonist activities were also evaluated in SK-N-MC cells that endogenously express the human CGRP receptor. Lipidated peptides were then tested for their ability to antagonize endogenous CGRP action in vivo using a capsaicin-induced dermal vasodilation (CIDV) model in C57/BL6J mice. All lipidated peptides except for the C-terminally modified analog retained potent antagonist activity compared to CGRP8-37 towards the CGRP receptor. The lipidated peptides also retained, and sometimes gained, antagonist activities at AMY1, AM1 and AM2 receptors. Several lipidated peptides produced robust inhibition of CIDV in mice. This study demonstrates that selected lipidated peptide antagonists based on ¦ÁCGRP8-37 retain potent antagonist activity at the CGRP receptor and are capable of inhibition of endogenous CGRP action in vivo. These findings suggest that lipidation can be applied to peptide antagonists, such as ¦ÁCGRP8-37 and are a potential strategy for antagonizing CGRP action.

Frontiers in Pharmacology 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, Product Details of C20H19NO4.

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

Zhou, Yuxin published the artcileMolecular Dynamics Study on the Condensation of PAH Molecules on Quasi Soot Surfaces, Synthetic Route of 191-07-1, the publication is Journal of Physical Chemistry A (2022), 126(4), 630-639, database is CAplus and MEDLINE.

In this paper, the condensation efficiency of polycyclic aromatic hydrocarbon (PAH) mols. up to coronene, from 500 to 2000 K, is calculated based on hundreds of collisions between a PAH mol. and the quasi soot surface, which is composed of stacked coronene mols. with periodic boundary conditions, using mol. dynamics simulations. The results show that the condensation efficiency increases with the PAH mol. mass but decreases as the temperature increases, following a Gaussian function. Meanwhile, when the presence of aliphatic chains on soot particle surfaces is considered, the condensation efficiency can be lowered by up to 40%, being affected more significantly at higher temperatures A condensation efficiency model is thus proposed from the mol. trajectories. Finally, when this newly proposed PAH condensation efficiency model is adopted, better agreement with the experiments is achieved in predicting soot volume fractions of an ethylene/oxygen/nitrogen mixture in a tandem jet-stirred reactor and a plug-flow reactor.

Journal of Physical Chemistry A 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 C18H10, Synthetic Route of 191-07-1.

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

Wen, Tingyu published the artcileDiscovery, semisynthesis and neurite outgrowth-promoting activity of novel merrillianone/cycloparvifloralone based esters as neurotrophic agents, Application of 3-Benzoylpropionicacid, the publication is Bioorganic & Medicinal Chemistry Letters (2021), 127832, database is CAplus and MEDLINE.

Natural products (NPs) are very important sources for the development of new drugs. Merrillianone and cycloparvifloralone, isolated from the roots, stems, and fruits of Illicium henryi Diels, are two natural sesquiterpene compounds In continuation of our effort to discover more effective neurotrophic compounds from NPs, a series of novel merrillianone/cycloparvifloralone based esters I (R = MeCH:CHCH:CH, CH₂CH₂Ph, CH₂CH₂COPh, etc.) and II (R = 4-BrC₆H₄CH₂, 2-naphthylmethyl, CH:CHPh, etc.) were prepared and their structures were characterized by ¹H NMR, ¹³C NMR and IR spectral analyses. Furthermore, the spatial structure of compound I (R = CH₂CH₂Ph) was unambiguously confirmed by X-ray crystallog. The neurite outgrowth-promoting activity results indicated that most of the target derivatives exhibited more potent neurite outgrowth-promoting activity than merrillianone and cycloparviforalone. Among all target derivatives, the neurite outgrowth-promoting activity of compounds I (R = MeCH:CHCH:CH) and II (R = MeCH:CHCH:CHMe, 4-FC₆H₄CH₂CH₂) was about 2-fold stronger than that of their precursors merrillianone and cycloparvifloralone, resp. Besides, compounds I (R = MeCH:CHCH:CH) and II (R = MeCH:CHCH:CH) displayed relatively low cytotoxicity to normal GES-1 cells. Moreover, these derivatives had good hydrolytic stability. Finally, some interesting results of the structure-activity relationships (SARs) were also discussed. This work will pave the way for the development of merrillianone/cycloparvifloralone derivatives as potential neurotrophic agents.

Bioorganic & Medicinal Chemistry Letters 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 C8H8O2, Application of 3-Benzoylpropionicacid.

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

Wang, Juan published the artcileAdsorptive separation of fluoroborate anion in a foam column, Related Products of catalysis-chemistry, the publication is Huagong Xuebao (Chinese Edition) (1994), 45(3), 380-4, database is CAplus.

A foam column was used for removing fluoroborate anion. The removal rate of fluoroborate anion was measured. Dodecylamine acetate could be used as a carrier. Dodecylamineacetate concentrations, gas flow rates, and pH were significant factors.

Huagong Xuebao (Chinese Edition) published new progress about 2016-56-0. 2016-56-0 belongs to catalysis-chemistry, auxiliary class Active Esterification, name is Dodecylamineacetate, and the molecular formula is C25H47NO8, Related Products of catalysis-chemistry.

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

Go, Maybelle Kho published the artcileEstablishing a Toolkit for Precursor-Directed Polyketide Biosynthesis: Exploring Substrate Promiscuities of Acid-CoA Ligases, SDS of cas: 16909-09-4, the publication is Biochemistry (2012), 51(22), 4568-4579, database is CAplus and MEDLINE.

Polyketides are chem. diverse and medicinally important biochems. that are biosynthesized from acyl-CoA precursors by polyketide synthases. One of the limitations to combinatorial biosynthesis of polyketides has been the lack of a toolkit that describes the means of delivering novel acyl-CoA precursors necessary for polyketide biosynthesis. Using five acid-CoA ligases obtained from various plants and microorganisms, we biosynthesized an initial library of 79 acyl-CoA thioesters by screening each of the acid-CoA ligases against a library of 123 carboxylic acids. The library of acyl-CoA thioesters includes derivatives of cinnamyl-CoA, 3-phenylpropanoyl-CoA, benzoyl-CoA, phenylacetyl-CoA, malonyl-CoA, saturated and unsaturated aliphatic CoA thioesters, and bicyclic aromatic CoA thioesters. In our search for the biosynthetic routes of novel acyl-CoA precursors, we discovered two previously unreported malonyl-CoA derivatives (3-thiophenemalonyl-CoA and phenylmalonyl-CoA) that cannot be produced by canonical malonyl-CoA synthetases. This report highlights the utility and importance of determining substrate promiscuities beyond conventional substrate pools and describes novel enzymic routes for the establishment of precursor-directed combinatorial polyketide biosynthesis.

Biochemistry 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, SDS of cas: 16909-09-4.

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

Chauhan, Laxmi K. published the artcileHydroxytriazenes incorporating sulphonamide derivatives: evaluation of antidiabetic, antioxidant, anti-inflammatory activities, and computational study, Product Details of C8H7NO4, the publication is Molecular Diversity, database is CAplus and MEDLINE.

The existent investigation deals with synthesis, characterization, computational anal., and biol. activities of some hydroxytriazene derivatives containing sulfonamide moiety. The compounds were screened for antidiabetic, antioxidant, and anti-inflammatory activities. The antidiabetic activity was assessed using ¦Á-glucosidase and ¦Á-amylase inhibition assays with IC₅₀ values ranging from 32.0 to 759.13 ¦Ìg/mL and 157.77 to 340.47 ¦Ìg/mL while standard drug acarbose showed IC₅₀ values 12.21 and 69.74 ¦Ìg/mL, resp. The antioxidant activity was evaluated using DPPH and ABTS radical scavenging assays with IC₅₀ value ranging from 54.01 to 912.66 ¦Ìg/mL and 33.22 to 128.11 ¦Ìg/mL, and standard drug ascorbic acid showed IC₅₀ values 29.12 ¦Ìg/mL and 69.13 ¦Ìg/mL, resp. Anti-inflammatory activity was investigated using the carrageenan-induced paw edema method, where percentage inhibition was up to 93.0 and 98.57 for 2 h and 4 h, resp., and all the compounds were found to exhibit excellent anti-inflammatory activity. Moreover, prediction of activity spectra for substance and mol. docking were also performed. The PASS prediction hypothesized the potential of the compounds for anti-inflammatory activity, and docking results suggested the best binding pose for compounds 1b and 2b with the least energy value from which compounds can be considered as potent COX-2 inhibitors. Furthermore, possible interactions between hydroxytriazene analogs and the targets of antioxidant NADPH oxidase and antidiabetic human maltase-glucoamylase enzyme have been identified. The HOMO and LUMO anal. revealed charge transfer within the compounds These findings suggested that the synthesized compounds can be potential agents for the treatment of diabetes and inflammation.

Molecular Diversity published new progress about 104-03-0. 104-03-0 belongs to catalysis-chemistry, auxiliary class Nitro Compound,Carboxylic acid,Benzene, name is 4-Nitrophenylacetic acid, and the molecular formula is C8H7NO4, Product Details of C8H7NO4.

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

Rao, L. F. published the artcileComplexation of the uranyl ion (UO₂²⁺) with phenylene-1,2-dioxydiacetic acid, Related Products of catalysis-chemistry, the publication is Inorganic Chemistry (1990), 29(18), 3589-92, database is CAplus.

Complexation of uranyl cations by phenylene-1,2-dioxydiacetic acid was studied by potentiometry, calorimetry, solvent extraction, and ¹H NMR spectroscopy. Complexation parameters at 298 K and ionic strength 0.1 (NaClO₄) were determined The thermodn. and NMR data are consistent with bonding of UO₂²⁺ to the carboxylate groups of the ligand, with weak or no interaction with the ether oxygens. No 1:2 complexation was observed

Inorganic Chemistry 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, Related Products of catalysis-chemistry.

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

Lis, Stefan published the artcileLuminescence study of europium(III) complexes with several dicarboxylic acids in aqueous solution, SDS of cas: 5411-14-3, the publication is Journal of Alloys and Compounds (1995), 225(1-2), 257-60, database is CAplus.

Luminescence lifetimes of Eu(III) in complexes with dicarboxylate ligands and N, O or S donors have been measured in H₂O and D₂O solutions of varying pH and europium-ligand ratio. The ligands were iminodiacetate (IDA), diglycolate (DGA), thiodiglycolate (TDA), dipicolinate (DPA), benzene-1,2-bis(oxyacetate) (BDODA), ethylenediaminediacetate (EDDA) and ethylene-1,2-dithiodiacetate (EDTDA). The lifetimes have been used to measure the number of water mols. coordinated to the Eu(III) ion in each complex. The results show that in the 1:1 and 1:2 complexes the ligands: IDA, DGA and DPA are tridentate whereas the TDA complexes are bidentate. BDODA and EDDA form tetradentate 1:1 and bidentate 1:2 complexes, while EDTDA is bidentate in both the 1:1 and 1:2 complexes. These results indicate that the nitrogen and oxygen donors are bonded to lanthanide ions in the DGA, IDA, DPA and EDDA complexes, whereas the sulfur donors are not bonded in the TDA and EDTDA complexes.

Journal of Alloys and Compounds 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, SDS of cas: 5411-14-3.

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

Bochenska, Maria published the artcileSulfonamides as ionophores for ion-selective electrodes. I, Application In Synthesis of 1798-04-5, the publication is Journal of Inclusion Phenomena (1987), 5(6), 689-94, database is CAplus.

o-R¹RNCOC₆H₄SO₂NRR¹, o-(R¹RNSO₂)₂C₆H₄, 2,4-R¹RNSO₂(Me₃C)C₆H₃OCH₂CONR²R³ [R = R¹ = Et, Bu, CH₂CHMe₂, CH₂Ph; R = Et, R¹ = Ph; NRR¹ = morpholino, piperidino, NH(CH₂)₁₃Me; R² = R³ = Bu, CH₂CHMe₂), and X[CON(CHMe₂)₂]₂ (X = o-C₆H₄, o-C₆H₄OCH₂, 1,2-cyclohexanediyl) were prepared for use as ion-selective ligands in liquid membrane electrodes. Most of the ligands preferentially chelated K.

Journal of Inclusion Phenomena published new progress about 1798-04-5. 1798-04-5 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Ether, name is 2-(4-(tert-Butyl)phenoxy)acetic acid, and the molecular formula is C12H16O3, Application In Synthesis of 1798-04-5.

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