Month: December 2022

Neumann, William L. published the artcileSynthesis and structure-activity relationships of 3,4,5-trisubstituted-1,2,4-triazoles: high affinity and selective somatostatin receptor-4 agonists for Alzheimer¡äs disease treatment, Name: 2-(3-(Benzyloxy)phenyl)acetic acid, the publication is RSC Medicinal Chemistry (2021), 12(8), 1352-1365, database is CAplus and MEDLINE.

Somatostatin receptor-4 (SST₄) is highly expressed in brain regions affiliated with learning and memory. SST₄ agonist treatment may act to mitigate Alzheimer¡äs disease (AD) pathol. An integrated approach to SST₄ agonist lead optimization is presented herein. High affinity and selective agonists with biol. efficacy were identified through iterative cycles of a structure-based design strategy encompassing computational methods, chem., and preclin. pharmacol. 1,2,4-Triazole derivatives of our previously reported hit (4) showed enhanced SST₄ binding affinity, activity, and selectivity. Thirty-five compounds showed low nanomolar range SST₄ binding affinity, 12 having a K_i < 1 nM. These compounds showed >500-fold affinity for SST₄ as compared to SST_2A. SST₄ activities were consistent with the resp. SST₄ binding affinities (EC₅₀ < 10 nM for 34 compounds). Compound 208 (SST₄K_i = 0.7 nM; EC₅₀ = 2.5 nM; >600-fold selectivity over SST_2A) display a favorable physiochem. profile, and was advanced to learning and memory behavior evaluations in the senescence accelerated mouse-prone 8 model of AD-related cognitive decline. Chronic administration enhanced learning with i.p. dosing (1 mg kg^-1) compared to vehicle. Chronic administration enhanced memory with both i.p. (0.01, 0.1, 1 mg kg^-1) and oral (0.01, 10 mg kg^-1) dosing compared to vehicle. This study identified a novel series of SST₄ agonists with high affinity, selectivity, and biol. activity that may be useful in the treatment of AD.

RSC Medicinal Chemistry published new progress about 1860-58-8. 1860-58-8 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Ether, name is 2-(3-(Benzyloxy)phenyl)acetic acid, and the molecular formula is C15H14O3, Name: 2-(3-(Benzyloxy)phenyl)acetic acid.

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

Costero, Ana M. published the artcilePolyazapodands derived from biphenyl. Study of their behavior as conformationally regulated fluorescent sensors, COA of Formula: C8H21N3, the publication is Supramolecular Chemistry (2004), 16(6), 435-446, database is CAplus.

Eight new polyazapodands containing a 4,4′-substituted biphenyl moiety have been synthesized. Four are functionalized on positions 4 and 4′ with a nitro group and four with a dimethylamino substituent. Comparison of the emission behavior of clearly suggests that a modification in the dihedral angle between the biphenyl rings is an important factor in determining the fluorescent response of the mol. The fluorescence is pH dependent, due to the formation of intramol. hydrogen bonds between protonated aliphatic nitrogens and a carbonyl oxygen, which influences the aforementioned dihedral angle. A crystal structure resolved by X-ray diffraction, and confirms the dependence of the angle and the rigidity on the hydrogen bonding. The complexation properties of these ligands have been studied with Zn²⁺, Cd²⁺, Ni²⁺, Cu²⁺ and Pb²⁺, which show that the number of amino groups within the pendants has a strong influence on the nature of the complexation and the fluorescent response of each ligand.

Supramolecular Chemistry published new progress about 61877-80-3. 61877-80-3 belongs to catalysis-chemistry, auxiliary class Aliphatic Chain, name is N1,N1,N2-Trimethyl-N2-(2-(methylamino)ethyl)ethane-1,2-diamine, and the molecular formula is C8H21N3, COA of Formula: C8H21N3.

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

Vazquez, Luis published the artcileA new urea adducts method for PUFA concentration using green food grade solvents and avoiding ethyl carbamate formation, SDS of cas: 6217-54-5, the publication is Food Chemistry (2022), 133197, database is CAplus and MEDLINE.

This study aimed to selectively enrich stearidonic acid (SDA) together with ¦Ã-linolenic acid (GLA) in Echium plantagineum oil by urea complexation. The complexation process at room temperature was carried out replacing common organic solvents, such as hexane and ethanol, by alternative compounds, included in Green Solvent and Food Grade categories, adapting this process towards the principles of Green Chem. This substitution was also intended to avoid the generation of the toxic compound Et carbamate. Among all the solvents studied, the mixture propionic acid and ¦Á-pinene provided the best results, leading to a final product comprised of ?99% of PUFA, with ?45% SDA (?14% in the original oil), and without apparition of Et carbamate. The procedure was tested on other raw materials (salmon and microalgae oils). The solvent was efficiently recuperated from the liquid phase (?87% recovery) and reutilized once with almost identical results.

Food Chemistry published new progress about 6217-54-5. 6217-54-5 belongs to catalysis-chemistry, auxiliary class Alkenyl,Carboxylic acid,Aliphatic hydrocarbon chain,Metabolic Enzyme,RAR/RXR,Natural product, name is Docosahexaenoic Acid, and the molecular formula is C8H10O2, SDS of cas: 6217-54-5.

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

Mohd Zaini, Nurul Aizan published the artcileCuring, thermal, tensile and flammability characteristics of sepiolite/ethylene propylene diene monomer rubber composites with glut palmitate salt and silane coupling agents, COA of Formula: C6H17NO3Si, the publication is Polymer Composites (2022), 43(7), 4721-4736, database is CAplus.

The main objective of this work is to compare the effectiveness of a newly synthesized glut palmitate (GP) salt and a com. available (3-aminopropyl) trimethoxysilane (APTMS) as coupling agents in sepiolite (SEP) filled ethylene propylene diene monomer (EPDM/SEP) composites. The unmodified and modified composites with different amounts of SEP were prepared with an open two-roll mill and the morphol., cure characteristics, tensile properties, flammability, and thermal stability were studied. Fourier transform IR spectroscopy (FTIR) anal. indicated shifting of the related absorption peaks and confirmed the interaction between composite with the GP salt and APTMS and the successful modification of sepiolite particles in EPDM/SEP composites. The maximum torque (MH), scorch time (t_s2) and cure time (t₉₀) of the modified EPDM composites decreased with both coupling agents. Thermal stability reduced in the presence of coupling agents but the reduction is more pronounced in the composite with GP salt due to low-temperature degradation of the fatty acid. Compared with unmodified EPDM/SEP, the tensile strength of the modified EPDM/SEP with GP and APTMS enhanced by 15% and 52%, resp. but both elongation at break and modulus were lowered. GP and APTMS were efficient coupling agents in linking the SEP and EPDM matrix, reducing the rubber-filler interaction (Q_f/Q_g) from 1.00 for the EPDM/SEP composites to 0.76 and 0.64 for the EPDM/GP/SEP and EPDM/APTMS/SEP composites, resp.

Polymer Composites published new progress about 13822-56-5. 13822-56-5 belongs to catalysis-chemistry, auxiliary class Organic Silicones, name is 3-(Trimethoxysilyl)propan-1-amine, and the molecular formula is C6H17NO3Si, COA of Formula: C6H17NO3Si.

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

Golchoubian, Hamid published the artcileSolvato- and thermochromism study in oxalato-bridged dinuclear copper(II) complexes of bidentate diamine ligands, Recommanded Product: N1,N2-Dibenzylethane-1,2-diamine, the publication is Polyhedron (2017), 68-75, database is CAplus.

Two new oxalato complexes [Cu₂(L)₂(¦Ì-ox)(MeOH)₂](ClO₄)₂ (1) and [Cu₂(L)₂(¦Ì-ox)](NO₃)₂ (2), where ox = oxalato and L = N,N’-dibenzylethane-1,2-diamine, were prepared and characterized by elemental anal., IR and UV-visible spectroscopies and molar conductance measurements. The crystal structure of compound 1 was determined by single-crystal x-ray anal. The compounds are solvatochromic and their solvatochromism was studied with different solvent parameter models using the stepwise multiple linear regression (SMLR) method with SPSS/PC software. The donor power of the solvent plays the most important role in the observed pos. solvatochromism of the compounds The complexes show irreversible thermochromism in solution due to the substitution of the weakly coordinated counterions and coordinated solvents by solvent mols.

Polyhedron published new progress about 140-28-3. 140-28-3 belongs to catalysis-chemistry, auxiliary class Benzenes, name is N1,N2-Dibenzylethane-1,2-diamine, and the molecular formula is C16H20N2, Recommanded Product: N1,N2-Dibenzylethane-1,2-diamine.

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

Toth, Balazs L. published the artcileZ-Selective Fluoroalkenylation of (Hetero)Aromatic Systems by Iodonium Reagents in Palladium-Catalyzed Directed C-H Activation, Related Products of catalysis-chemistry, the publication is Advanced Synthesis & Catalysis (2022), 364(2), 348-354, database is CAplus.

Herein, a stereoselective procedure for direct fluorovinylation of aromatic and heteroaromatic scaffolds is reported. This methodol. development has been realized by palladium-catalyzed ortho C-H activation reaction of a variety of aniline derivatives featuring the regioselectivity via directing groups such as secondary of tertiary amides, ureas or ketones. The application of non-sym. aryl(fluoroalkenyl)iodonium salts as fluoroalkenylating agents allowed mild reaction conditions in general for this transformation. The scope and limitations have been thoroughly investigated and the feasibility has been demonstrated by more than 50 examples.

Advanced Synthesis & Catalysis published new progress about 118-90-1. 118-90-1 belongs to catalysis-chemistry, auxiliary class Carboxylic acid,Benzene,Natural product, name is 2-Methylbenzoic acid, and the molecular formula is C15H19BO2, Related Products of catalysis-chemistry.

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

Royer, Aaron M. published the artcileIron acyl thiolato carbonyls: structural models for the active site of the [Fe]-hydrogenase (Hmd), Product Details of C15H24S, the publication is Journal of the American Chemical Society (2010), 132(47), 16997-17003, database is CAplus and MEDLINE.

Phosphine-modified thioester derivatives are shown to serve as efficient precursors to phosphine-stabilized ferrous acyl thiolato carbonyls, which replicate key structural features of the active site of the hydrogenase Hmd. The reaction of Ph₂PC₆H₄C(O)SPh and sources of Fe(0) generates both Fe(SPh)(Ph₂PC₆H₄CO)(CO)₃ (1) and the diferrous diacyl Fe₂(SPh)₂(CO)₃(Ph₂PC₆H₄CO)₂, which carbonylates to give 1. For the extremely bulky arylthioester Ph₂PC₆H₄C(O)SC₆H₃-2,6-(2,4,6-trimethylphenyl)₂, oxidative addition is arrested and the Fe(0) adduct of the phosphine is obtained. Complex 1 reacts with cyanide to give Et₄N[Fe(SPh)(Ph₂PC₆H₄CO)(CN)(CO)₂] (Et₄N[2]). NMR ¹³C and ³¹P NMR spectra indicate that substitution is stereospecific and cis to P. The IR spectrum of [2]^– in ¦Í_CN and ¦Í_CO regions very closely matches that for Hmd^CN. XANES and EXAFS measurements also indicate close structural and electronic similarity of Et₄N[2] to the active site of wild-type Hmd. Complex 1 also stereospecifically forms a derivative with TsCH₂NC, but the adduct is more labile than Et₄N[2]. Tricarbonyl 1 was found to reversibly protonate to give a thermally labile derivative, IR measurements of which indicate that the acyl and thiolate ligands are probably not protonated in Hmd.

Journal of the American Chemical Society published new progress about 22693-41-0. 22693-41-0 belongs to catalysis-chemistry, auxiliary class Other Functionalization Reagent, name is 2,4,6-Triisopropylbenzenethiol, and the molecular formula is C15H24S, Product Details of C15H24S.

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

Thyne, Kevin M. published the artcileMetabolic benefits of methionine restriction in adult mice do not require functional methionine sulfoxide reductase A (MsrA), COA of Formula: C5H11NO2S, the publication is Scientific Reports (2022), 12(1), 5073, database is CAplus and MEDLINE.

Abstract: Methionine restriction (MR) extends lifespan and improves several markers of health in rodents. However, the proximate mechanisms of MR on these physiol. benefits have not been fully elucidated. The essential amino acid methionine plays numerous biol. roles and limiting its availability in the diet directly modulates methionine metabolism There is growing evidence that redox regulation of methionine has regulatory control on some aspects of cellular function but interactions with MR remain largely unexplored. We tested the functional role of the ubiquitously expressed methionine repair enzyme methionine sulfoxide reductase A (MsrA) on the metabolic benefits of MR in mice. MsrA catalytically reduces both free and protein-bound oxidized methionine, thus playing a key role in its redox state. We tested the extent to which MsrA is required for metabolic effects of MR in adult mice using mice lacking MsrA. As expected, MR in control mice reduced body weight, altered body composition, and improved glucose metabolism Interestingly, lack of MsrA did not impair the metabolic effects of MR on these outcomes. Moreover, females had blunted MR responses regardless of MsrA status compared to males. Overall, our data suggests that MsrA is not required for the metabolic benefits of MR in adult mice.

Scientific Reports published new progress about 63-68-3. 63-68-3 belongs to catalysis-chemistry, auxiliary class Natural product, name is (S)-2-Amino-4-(methylthio)butanoic acid, and the molecular formula is C6H12O2, COA of Formula: C5H11NO2S.

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

Tsai, Cheng-Yu published the artcileHelical structure motifs made searchable for functional peptide design, Recommanded Product: (S)-2-Amino-4-(methylthio)butanoic acid, the publication is Nature Communications (2022), 13(1), 102, database is CAplus and MEDLINE.

The systematic design of functional peptides has technol. and therapeutic applications. However, there is a need for pattern-based search engines that help locate desired functional motifs in primary sequences regardless of their evolutionary conservation. Existing databases such as The Protein Secondary Structure database (PSS) no longer serves the community, while the Dictionary of Protein Secondary Structure (DSSP) annotates the secondary structures when tertiary structures of proteins are provided. Here, we extract 1.7 million helixes from the PDB and compile them into a database (Therapeutic Peptide Design database; TP-DB) that allows queries of compounded patterns to facilitate the identification of sequence motifs of helical structures. We show how TP-DB helps us identify a known purification-tag-specific antibody that can be repurposed into a diagnostic kit for Helicobacter pylori. We also show how the database can be used to design a new antimicrobial peptide that shows better Candida albicans clearance and lower hemolysis than its template homologs. Finally, we demonstrate how TP-DB can suggest point mutations in helical peptide blockers to prevent a targeted tumorigenic protein-protein interaction.

Nature Communications published new progress about 63-68-3. 63-68-3 belongs to catalysis-chemistry, auxiliary class Natural product, name is (S)-2-Amino-4-(methylthio)butanoic acid, and the molecular formula is C3H9ClOS, Recommanded Product: (S)-2-Amino-4-(methylthio)butanoic acid.

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

Kohno, Hiroyuki published the artcileEffects of intracerebroventricular administration of aliphatic diamines on ingestive behavior in the rat, HPLC of Formula: 10517-44-9, the publication is Japanese Journal of Pharmacology (1981), 31(2), 211-20, database is CAplus and MEDLINE.

The pharmacol. effects of intracerebroventricularly administered aliphatic diamines on ingestive behavior were measured in male rats adapted to a 4 h/day feeding and drinking schedule. 1,2-Ethanediamine-2HCl (ETD) [333-18-6], 1,3-propanediamine-2HCl (PRD) [10517-44-9], putrescine (PUT) [110-60-1], cadaverine-2HCl (CAD) [1476-39-7], and 1,6-hexanediamine-2HCl (HED) [6055-52-3] suppressed feeding and drinking behavior in a dose-dependent manner, but not unless a relatively high dose (>80 ¦Ìg) was given. The approx. anorectic potency was HED > CAD ¡Ö PUT > ETD > PRD. A sedation was also produced in fairly good parallel to these alterations in feeding and drinking behavior. Thus, there appears to be a relation between the length of the C chain and the potency of the pharmacol. action.

Japanese Journal of Pharmacology 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, HPLC of Formula: 10517-44-9.

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