Month: October 2022

Marsault, Eric; Hoveyda, Hamid R.; Peterson, Mark L.; Saint-Louis, Carl; Landry, Annick; Vezina, Martin; Ouellet, Luc; Wang, Zhigang; Ramaseshan, Mahesh; Beaubien, Sylvie; Benakli, Kamel; Beauchemin, Sophie; Deziel, Robert; Peeters, Theo; Fraser, Graeme L. published the artcile< Discovery of a New Class of Macrocyclic Antagonists to the Human Motilin Receptor>, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate, the main research area is macrocyclic peptidomimetic preparation antagonist SAR human motilin receptor.

A novel class of macrocyclic peptidomimetics was identified and optimized as potent antagonists to the human motilin receptor (hMOT-R). Well-defined structure-activity relationships allowed for rapid optimization of potency that eventually led to high affinity antagonists to hMOT-R. Potency and antagonist functional activity were confirmed both in functional and cell-based assays, as well as on isolated rabbit intestinal smooth muscle strips. Rapid access to this novel class of macrocyclic target structures was made possible through two efficient and complementary solid-phase parallel synthetic approaches, both of which are reported herein.

Journal of Medicinal Chemistry published new progress about Amino acids Role: RCT (Reactant), RACT (Reactant or Reagent). 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Name: (9Z,12Z)-Methyl octadeca-9,12-dienoate.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Yu, Hanwen; Sun, Han; Wang, Kang; Liang, Xiao; Ding, Yang; Chang, Xiangwei; Guo, Jian; Peng, Daiyin; Gui, Shuang ying published the artcile< Study of the therapeutic effects of Painong powder on ulcerative colitis and the role of Platycodonis Radix in the prescription based on pharmacodynamic, pharmacokinetic, and tissue distribution analyses>, Computed Properties of 112-63-0, the main research area is painong antiinflammatory agent pharmacodynamics pharmacokinetics ulcerative colitis; Painong powder; Pharmacodynamics; Pharmacokinetics; Platycodonis radix; Tissue distribution.

Herbal formulas have unique efficacy and are of great significance to the theory and practice of Chinese medicine and are therefore gaining increasing attention in research. Painong powder (PNS), composed of Aurantii fructus immaturus (Zhishi in Chinese, ZS), Paeoniae Radix Alba (Baishao in Chinese, BS), and Platycodonis Radix (Jiegeng in Chinese, JG), has remarkable effects on the detoxification and discharge of pus. JG is traditionally used to treat pulmonary carbuncles and is considered a medicinal guide . According to the composition theory of prescriptions, JG is an assistant and guide medicine. The role of JG as an adjuvant has gained increasing attention. The study was designed to prove the efficacy of PNS in ulcerative colitis (UC) and to study the role of JG in PNS via pharmacodynamic, pharmacokinetic, and tissue distribution analyses. For the pharmacodynamic study, the UC rat model was induced using 5% trinitrobenzene sulfonic acid (TNBS). The results of the macroscopic characterization, histol. anal., and cytokine levels, including those of tumor necrosis factor-α (TNF-α), interleukin-1β (IL-1β), interleukin-6 (IL-6), and nuclear factor-kappa B (NF-κB), were integrated to evaluate the treatment of UC with PNS. In addition, an LC-MS/MS method was established and validated to analyze the blood pharmacokinetic parameters and tissue distribution of naringin and paeoniflorin. After the administration of high-dose PNS, the UC rats showed amelioration of macroscopic damage at the lesion site. The cytokine levels in the plasma, colon, and lung tissues were also decreased. The pharmacokinetic parameters showed that compared with UC rats administered with PNS-JG, those administered with PNS showed an increase in the AUC, MRT, and Tmax of naringin and paeoniflorin, and a decrease in their clearance rate. Furthermore, naringin and paeoniflorin had higher concentrations in the colon and lung tissues in the normal and model groups administered with PNS than in those administered with PNS-JG. PNS was shown to have marked therapeutic efficacy against TNBS-induced UC in rats. The effect of JG in PNS was reflected by the differences in the pharmacokinetic parameters and tissue distribution of the active components, providing valuable information for the clin. application of PNS in the treatment of UC. However, knowledge about how JG works as an adjuvant medicine in PNS is still lacking.

Journal of Ethnopharmacology published new progress about Anti-inflammatory agents. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Computed Properties of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Irie, Takayuki; Asami, Tokiko; Sawa, Ayako; Uno, Yuko; Hanada, Mitsuharu; Taniyama, Chika; Funakoshi, Yoko; Masai, Hisao; Sawa, Masaaki published the artcile< Discovery of novel furanone derivatives as potent Cdc7 kinase inhibitors>, SDS of cas: 112-63-0, the main research area is anticancer Cdc7 kinase inhibition furanone; mol modeling anticancer Cdc7 kinase inhibition furanone; furanone preparation human anticancer Cdc7 kinase inhibition mol binding; Anticancer activity; Apoptosis; Cell cycle; Furanone; Kinase inhibitors; Slow binding.

Cdc7 is a serine-threonine kinase and plays a conserved and important role in DNA replication, and it has been recognized as a potential anticancer target. Herein, we report the design, synthesis and structure-activity relationship of novel furanone derivatives as Cdc7 kinase inhibitors. Compound I was identified as a strong inhibitor of Cdc7 with an IC50 value of 0.6 nM in the presence of 1 mM ATP and showed excellent kinase selectivity. In addition, it exhibited slow off-rate characteristics, which may offer advantages over known Cdc7 inhibitors in its potential to yield prolonged inhibitory effects in vivo. Compound I potently inhibited Cdc7 activity in cancer cells, and effectively induced cell death.

European Journal of Medicinal Chemistry published new progress about Antiproliferative agents. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, SDS of cas: 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Larsen, Rolf Olaf; Aksnes, Gunnar published the artcile< Kinetic study of the Horner reaction. I>, Formula: C19H34O2, the main research area is Horner reaction phosphonate benzaldehyde kinetics; LFER Horner reaction.

The rates of the Horner-reaction of 5 phosphonates (EtO)2P(O)CH2R (R = CO2Et, CN, p-O2NC6H4) and I (Q = CH2CH2, CHMe) with NaOEt and various p- and m-substituted benzaldehydes, and ethanol as solvent, are reported. The kinetics of the reactions are overall third order, first order in phosphonate, ethoxide, and aldehyde, resp. The reaction is accelerated by electron-withdrawing substituents in the benzaldehyde, giving a reaction constant, ρ, of ∼+2.0. The 5-membered cyclic phosphonate reacts ∼20 times faster than its acyclic analog. The rate difference is attributed to a considerable release in ring strain upon passing from the tetrahedral to the pentacoordinate state in the intermediate of the cyclic phosphonate.

Phosphorus and Sulfur and the Related Elements published new progress about Linear free energy relationship. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Formula: C19H34O2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Morinaga, Hisatoyo; Sawatani, Takeru published the artcile< Metal- and halogen-free one-pot synthesis of functional oligomers by tetra-n-butylammonium acetate/alcohol system>, Quality Control of 112-63-0, the main research area is tertiary butylammonium acetate initiator glycidyl phenyl ether oligomer.

In this study, ring-opening polymerization of glycidyl Ph ether (GPE) is performed using tetra-n-butylammonium acetate (n-Bu4NOAc) as a metal- and halogen-free initiator. Various alcs. are used as chain transfer agents (CTAs), of which ethanol yields oligo-GPE with a controlled number-average mol. weight (Mn) of relatively narrow polydispersity (Mw/Mn = 1.27-1.33). This polymerization system facilely affords various functional oligomers, including amphiphilic block copolymer, reactive oligomer, and branched oligomer from poly(ethylene glycol) Me ether, allyl alc., and polyhydric alc. as the resp. CTAs. The terminal chain structures are confirmed via NMR and MALDI-TOF MS anal.

Polymer Bulletin (Heidelberg, Germany) published new progress about Chain transfer agents. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Quality Control of 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Mori, Daisuke; Kimura, Hiroyuki; Kawashima, Hidekazu; Yagi, Yusuke; Arimitsu, Kenji; Ono, Masahiro; Saji, Hideo published the artcile< Development of 99mTc radiolabeled A85380 derivatives targeting cerebral nicotinic acetylcholine receptor: Novel radiopharmaceutical ligand 99mTc-A-YN-IDA-C4>, Reference of 39987-25-2, the main research area is technetium 99m A85380 derivative preparation cerebral nicotinic receptor; A85380 derivatives; Docking simulation; Nicotinic acetylcholine receptors; Single-photon emission computed tomography; Technetium-99m.

Nicotinic acetylcholine receptors (nAChRs) are pentameric ligand-gated ion channels that have been implicated in higher brain functions. To elucidate the functional mechanisms underlying nAChRs and contribute significantly to development of drugs targeting neurol. and neuropsychiatric diseases, non-invasive nuclear medical imaging can be used for evaluation. In addition, technetium-99m (99mTc) is a versatile radionuclide used clin. as a tracer in single-photon emission computed tomog. Because A85380 is known as a potent α4β2-nAChR agonist, we prepared A85380 derivatives labeled with 99mTc using a bifunctional chelate system. A computational scientific approach was used to design the probe efficiently. We used non-radioactive rhenium (Re) for a 99mTc analog and found that one of the derivatives, Re-A-YN-IDA-C4, exhibited high binding affinity at α4β2-nAChR in both the docking simulation (-19.3 kcal/mol) and binding assay (Ki = 0.4 ± 0.04 nM). Further, 99mTc-A-YN-IDA-C4 was synthesized using microwaves, and its properties were examined Consequently, we found that 99mTc-A-YN-IDA-C4, with a structure optimized by using computational chem. techniques, maintained affinity and selectivity for nAChR in vitro and possessed efficient characteristics as a nuclear medicine mol. imaging probe, demonstrated usefulness of computational scientific approach for mol. improvement strategy.

Bioorganic & Medicinal Chemistry published new progress about Brain. 39987-25-2 belongs to class esters-buliding-blocks, and the molecular formula is C6H12ClNO4, Reference of 39987-25-2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Palo-Nieto, Carlos; Sau, Abhijit; Williams, Ryan; Galan, M. Carmen published the artcile< Cooperative Bronsted Acid-Type Organocatalysis for the Stereoselective Synthesis of Deoxyglycosides>, Synthetic Route of 4098-06-0, the main research area is deoxyglycoside oligosaccharide stereoselective synthesis; Bronsted acid organocatalysis thiourea amplification glycal glycosylation.

A practical approach for the α-stereoselective synthesis of deoxyglycosides using cooperative Bronsted acid-type organocatalysis has been developed. The method is tolerant of a wide range of glycoside donors and acceptors, and its versatility is exempedilified in the one-pot synthesis of a trisaccharide. Mechanistic studies suggest that thiourea-induced acid amplification of the chiral acid via H-bonding is key for the enhancement in reaction rate and yield, while stereocontrol is dependent on the chirality of the acid. Thiourea-induced acid amplification.

Journal of Organic Chemistry published new progress about Bronsted acids Role: CAT (Catalyst Use), USES (Uses). 4098-06-0 belongs to class esters-buliding-blocks, and the molecular formula is C12H16O7, Synthetic Route of 4098-06-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Sui, Meng; Chen, Yong; Li, Fashe; Wang, Hua published the artcile< Study on transition metal ion Fe3+ catalyzed biodiesel oxidation and inhibition mechanism>, Product Details of C19H34O2, the main research area is transition metal ion iron catalysis biodiesel oxidation inhibition mechanism.

Me linoleate is used as an alternative component of biodiesel. The catalytic oxidation of biodiesel is studied in the presence of iron acetate using Me linoleate as the alternative component. The composition of the products obtained from the oxidation process of Me linoleate is analyzed by GC-MS and liquid phase microextraction D. functional theory is used to calculate the electronic effects of the related reactants and products, and the related catalytic oxidation reaction paths are derived. The results show that during the process of catalytic oxidation of Me linoleate in biodiesel, mainly the catalytic cracking reaction of C-H and C-C bonds and Fenton-like reaction occur. The combination of two antioxidants, TEPA and [MI][C6H2(OH)3COO], can effectively inhibit the catalytic oxidation of Cu2+ and Fe3+ and interrupt the chain reaction of the oxidation process. The neg. value of the electrostatic potential of ferric acetate is relatively large, it is obviously alk., and has a certain ability to bind with H. The irregular structure of the iron acetate unit cell makes the O-Fe bond in the mol. easy to break, which is beneficial for the catalytic oxidation process.

Fuel published new progress about Antioxidants. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, Product Details of C19H34O2.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Deb, Barnali; Chakraborty, Ankita; Hossain, Jewel; Majumdar, Swapan published the artcile< A Task-Specific Ionic-Liquid-Mediated Solvent-Free Protocol for Direct Access to Dimethyl Acetal Protected Benzimidazole 2-Carboxaldehydes>, Product Details of C7H12O5, the main research area is dimethyl acetal benzimidazole carboxaldehyde preparation; amino aniline methyl dimethoxyoxobutanoate cyclization imidazolium ionic liquid catalyst.

A robust and straightforward protocol has been developed for the synthesis of a diverse array of di-Me acetal protected benzimidazole-2-carboxaldehydes I (R = H, 6-Me, 5,6-di-Me, 6-Cl, carboxyl; R1 = H, Bn, prop-2-en-1-yl, etc.) by reacting various 2-amino aniline derivatives II with Me 4,4-dimethoxy-3-oxobutanoate using the task-specific imidazolium ionic liquid (HBIm·TFA) as a promoter for N-C/C-N annulation processes. The present protocol offers several advantages over existing protocols, such as single-step process, short reaction times, very mild reaction conditions, high yields, ease of purification, recovery and reusability of the catalyst, and scale-up of the reaction.

SynOpen published new progress about Acetals Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 60705-25-1 belongs to class esters-buliding-blocks, and the molecular formula is C7H12O5, Product Details of C7H12O5.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Klotz-Berendes, Bruno; Schaefer, Hans J.; Grehl, Matthias; Froehlich, Roland published the artcile< Electroorganic syntheses. 60. Diastereoselective coupling of anodically generated radicals bearing chiral amide groups>, SDS of cas: 112-63-0, the main research area is diastereoselective coupling radical Kolbe electrolysis; crystallog chiral amide.

Diastereoselective radical coupling by means of Kolbe electrolysis with formation of a stereogenic center is reported. This was achieved by electrolyzing 2-substituted malonic acid amides , which have a chiral auxiliary linked through the amide function, in the presence of carboxylic acids. Crystal structure data for some products (e.g. I) were reported.

Angewandte Chemie, International Edition in English published new progress about Configuration. 112-63-0 belongs to class esters-buliding-blocks, and the molecular formula is C19H34O2, SDS of cas: 112-63-0.

Referemce:
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics