Month: October 2022

Lumsden, Rebecca H; Pagidipati, Neha J; Phelan, Matthew P; Chiswell, Karen; Peterson, Eric D published the artcile< Prevalence and Management of Adult Obesity in a Large U.S. Academic Health System.>, Computed Properties of 96829-58-2, the main research area is .

INTRODUCTION: Both medication and surgical interventions can be used to treat obesity, yet their use and effectiveness in routine clinical practice are not clear. This study sought to characterize the prevalence and management of patients with obesity within a large U.S. academic medical center. METHODS: All patients aged ≥18 years who were seen in a primary care clinic within the Duke Health System between 2013 and 2016 were included. Patients were categorized according to baseline BMI as underweight or normal weight (<25 kg/m2), overweight (25-29.9 kg/m2), Class I obesity (30-34.9 kg/m2), Class II obesity (35-39.9 kg/m2), and Class III obesity (≥40 kg/m2). Baseline characteristics and use of weight loss medication were assessed by BMI category. Predicted change in BMI was modeled over 3 years. All data were analyzed between 2017 and 2018. RESULTS: Of the 173,462 included patients, most were overweight (32%) or obese (40%). Overall, <1% (n=295) of obese patients were prescribed medication for weight loss or underwent bariatric surgery within the 3-year study period. Most patients had no change in BMI class (70%) at 3 years. CONCLUSIONS: Despite a high prevalence of obesity within primary care clinics of a large, U.S. academic health center, the use of pharmacologic and surgical therapies was low, and most patients had no weight change over 3 years. This highlights the significant need for improvement in obesity care at a health system level. American journal of preventive medicine published new progress about 96829-58-2. 96829-58-2 belongs to class amides-buliding-blocks, and the molecular formula is C29H53NO5, Computed Properties of 96829-58-2.

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

Aiswarya, Ms; Venkateswaramurthy, N.; Sambathkumar, R. published the artcile< Long term effect of obesity treatment: a review>, Computed Properties of 96829-58-2, the main research area is review orlistat lorcaserine phentermine sibutramine rimonabant antiobesity agent obesity.

A review. Obesity is a significant issue that can lead to multiple serious diseases such as osteoarthritis, obstructive sleep apnea, gallstones, fatty liver disease, reproductive and gastrointestinal cancers, dyslipidemia, hypertension, type II diabetes, cardiac failure, CAD and stroke. When these non-pharmacol. procedures are ineffective, lifestyle modification such as diet and exercise is essential for the prevention and management of obesity, pharmacotherapy may be regarded. The lifestyle and phys. needs of individualized patients should be altered as the original therapy for obesity that concentrated mainly on diet and exercise. Many drugs used in obesity, including orlistat, lorcaserine, phentermine, sibutramine and rimonabant, but long-term use of above drug may cause several life-threatening side effects. Discontinuation of these anti-obesity drugs leads to weight regaining, in which the treatment will be ineffective. Due to enhanced danger of psychiatric disorders and non-fatal myocardial infarction or stroke, permits for rimonabant and sibutramine were withdrawn. Although orlistat is not as efficient in decreasing body weight as other drugs, orlistat is currently the only option available for treating obesity due to its safety for cardiovascular events and beneficial impacts on diabetic control. The aim of this study is to review the long-term effects of obesity treatment.

Research Journal of Pharmaceutical, Biological and Chemical Sciences published new progress about Antiobesity agents. 96829-58-2 belongs to class amides-buliding-blocks, and the molecular formula is C29H53NO5, Computed Properties of 96829-58-2.

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

Safina, Brian S.; McKerrall, Steven J.; Sun, Shaoyi; Chen, Chien-An; Chowdhury, Sultan; Jia, Qi; Li, Jun; Zenova, Alla Y.; Andrez, Jean-Christophe; Bankar, Girish; Bergeron, Philippe; Chang, Jae H.; Chang, Elaine; Chen, Jun; Dean, Richard; Decker, Shannon M.; DiPasquale, Antonio; Focken, Thilo; Hemeon, Ivan; Khakh, Kuldip; Kim, Amy; Kwan, Rainbow; Lindgren, Andrea; Lin, Sophia; Maher, Jonathan; Mezeyova, Janette; Misner, Dinah; Nelkenbrecher, Karen; Pang, Jodie; Reese, Rebecca; Shields, Shannon D.; Sojo, Luis; Sheng, Tao; Verschoof, Henry; Waldbrook, Matthew; Wilson, Michael S.; Xie, Zhiwei; Young, Clint; Zabka, Tanja S.; Hackos, David H.; Ortwine, Daniel F.; White, Andrew D.; Johnson, J. P. Jr.; Robinette, C. Lee; Dehnhardt, Christoph M.; Cohen, Charles J.; Sutherlin, Daniel P. published the artcile< Discovery of Acyl-sulfonamide Nav1.7 Inhibitors GDC-0276 and GDC-0310>, Quality Control of 25999-04-6, the main research area is acyl sulfonamide sodiumv17 inhibitor GDC0276 GDC0310 pain.

Nav1.7 is an extensively investigated target for pain with a strong genetic link in humans, yet in spite of this effort, it remains challenging to identify efficacious, selective, and safe inhibitors. Here, we disclose the discovery and preclin. profile of GDC-0276 (1) and GDC-0310 (2), selective Nav1.7 inhibitors that have completed Phase 1 trials. Our initial search focused on close-in analogs to early compound 3. This resulted in the discovery of GDC-0276 (1), which possessed improved metabolic stability and an acceptable overall pharmacokinetics profile. To further derisk the predicted human pharmacokinetics and enable QD dosing, addnl. optimization of the scaffold was conducted, resulting in the discovery of a novel series of N-benzyl piperidine Nav1.7 inhibitors. Improvement of the metabolic stability by blocking the labile benzylic position led to the discovery of GDC-0310 (2), which possesses improved Nav selectivity and pharmacokinetic profile over 1.

Journal of Medicinal Chemistry published new progress about Analgesics. 25999-04-6 belongs to class amides-buliding-blocks, and the molecular formula is C4H10N2O3S, Quality Control of 25999-04-6.

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

Bolli, Martin H.; Boss, Christoph; Binkert, Christoph; Buchmann, Stephan; Bur, Daniel; Hess, Patrick; Iglarz, Marc; Meyer, Solange; Rein, Josiane; Rey, Markus; Treiber, Alexander; Clozel, Martine; Fischli, Walter; Weller, Thomas published the artcile< The Discovery of N-[5-(4-Bromophenyl)-6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-4-pyrimidinyl]-N'-propylsulfamide (Macitentan), an Orally Active, Potent Dual Endothelin Receptor Antagonist>, SDS of cas: 25999-04-6, the main research area is alkyl sulfamide pyrimidine preparation oral endothelin receptor antagonist antihypertensive.

Starting from the structure of bosentan (1), we embarked on a medicinal chem. program aiming at the identification of novel potent dual endothelin receptor antagonists with high oral efficacy. This led to the discovery of a novel series of alkyl sulfamide substituted pyrimidines. Among these, compound 17 (macitentan, ACT-064992) emerged as particularly interesting as it is a potent inhibitor of ETA with significant affinity for the ETB receptor and shows excellent pharmacokinetic properties and high in vivo efficacy in hypertensive Dahl salt-sensitive rats. Compound 17 successfully completed a long-term phase III clin. trial for pulmonary arterial hypertension.

Journal of Medicinal Chemistry published new progress about Antihypertensives. 25999-04-6 belongs to class amides-buliding-blocks, and the molecular formula is C4H10N2O3S, SDS of cas: 25999-04-6.

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

Bojarska, Joanna; Fruzinski, Andrzej; Sieron, Leslaw; Maniukiewicz, Waldemar published the artcile< The first insight into the supramolecular structures of popular drug repaglinide: Focus on intermolecular interactions in antidiabetic agents>, SDS of cas: 94-20-2, the main research area is antidiabetic drug repaglinide crystal structure.

This work is the first, according to our knowledge, complete structural report on the solid-state supramol. architecture of antidiabetic drug repaglinide. Here, we present a series of four crystal structures, namely: an un-solvated form of repaglinide (1), repaglinide hydrochloride (2), repaglinide monohydrate (3) and repaglinide methanol solvate (4), successfully determined and fully characterized by the single-crystal X-ray diffraction method (SC-XRD) at 100 K. The (1) and (2) crystallize in the orthorhombic P212121 space group with Z = 1, while solvates exist in triclinic P-1 with Z = 2. The hierarchy and interplay of various intra- and intermol. interactions in the creation of a 3-D supramol. assembly using different finite groups (D), rings (R) and infinite chains (C) graph-set motifs are discussed in detail. A particular focus is put on unique halogen-bonded supramol. synthons. Interestingly, in (2) structure, an intramol. cyclic ring S(8) synthon was found as a consequence of the NH+ group. Solvent and water mols. play a significant role in the formation of supramol. architectures in the context of large synthons, the so-called long-range synthon Aufbau modules (LSAM) at the higher level of the crystal organization. A qual. and quant. comparative investigation of intercontacts nature between the adjacent mols. in the crystal, govering the supramol. assemblies, with respect to other members of the glinides family – nateglinide and also related antidiabetic benzoic acid derivatives, retrieved from the Cambridge Structural Database (version 5.39, update Feb. 2018 release) was supported by 3-D Hirshfeld surface maps and the associated 2-D fingerprint plots anal. visualizing all intercontacts at once and contributing them to the total surface for each compound It revealed numerous interactions mainly H···H, O···H, C···H (C-H…π), but also Cl···H(O, C) C···C (π…π), N···H(O), C···O (π…lone pair), O···O (lone pair…lone pair) cooperatively participating in stabilization of the supramol. structures of this class of APIs.

Journal of Molecular Structure published new progress about Antidiabetic agents. 94-20-2 belongs to class amides-buliding-blocks, and the molecular formula is C10H13ClN2O3S, SDS of cas: 94-20-2.

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

Sharma, Shikha; Ghosh, Sunil K.; Kumar, Mukesh; Sharma, Joti N. published the artcile< Synthesis and X-ray crystallographic characterization of two different inorganic-organic hybrid isopolyoxomolybdates with α-dipropylammonium N,N-diisobutylacetamide by varying reaction conditions>, Recommanded Product: 2-Chloro-N,N-diisobutylacetamide, the main research area is propylammonium diisobutylacetamide polyoxomolybdate complex preparation crystal structure.

Two new polyoxomolybdate based inorganic-organic hybrid compounds were obtained from same ammonium ion ligand 1 and molybdate source just by altering reaction conditions. The new hybrid polyoxomolybdate complexes (LH)2[Mo6O19] 3 and (LH)4[Mo8O26](MeCN)2 4 have distinct structural features revealed by x-ray crystallog. studies. The complex 3 contains two ammonium ligands to balance the charge on hexamolybdate dianion. The most striking feature of (LH)2[Mo6O19] is the presence of inter-ligand hydrogen bonding (N-H···O:C) between two ligands arranged in an antiparallel fashion that favors the formation of a net like structure which embeds the Mo6O19 dianion. The complex 4 contains four ammonium ligands to balance the charge on β-octamolybdate tetraanion. Complex 4 exhibits strong hydrogen-bonding interactions between ammonium ligand and octamolybdate anion (N-H···O-Mo) and no inter-ligand H-bonding interaction. The different structural features of hybrid compounds 3 and 4 suggest that different polyoxomolybdate clusters play a key role in the process of assembling of ligands.

Polyhedron published new progress about Crystal structure. 5326-82-9 belongs to class amides-buliding-blocks, and the molecular formula is C10H20ClNO, Recommanded Product: 2-Chloro-N,N-diisobutylacetamide.

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

Huang, Eunchong; Kim, Seulki; Park, Haryung; Park, Soyoung; Ji, Yosep; Todorov, Svetoslav Dimitrov; Lim, Sang-Dong; Holzapfel, Wilhelm Heinrich published the artcile< Modulation of the Gut Microbiome and Obesity Biomarkers by Lactobacillus Plantarum KC28 in a Diet-Induced Obesity Murine Model>, Formula: C29H53NO5, the main research area is Adipose tissue; Anti-obesity effect; Gut microbiome; Lactobacillus plantarum; Murine model.

Abstract: Lactobacillus plantarum KC28 showed a beneficial (anti-obesity) effect in a diet-induced obese (DIO) C57BL/6 murine model receiving an intermediate high-fat diet (IF). This diet was selected for probiotic studies by prior comparisons of different combinations of basic (carbohydrate, protein and fat) components for optimized induction of dietary obesity in a murine model. Prior selection of Lact. plantarum strain KC28 was based on different physiol. tests for safety and functionality including cell line adhesion and anti-adipogenic activity. The strain was administered at 5.0 x 109 CFU/mouse/day to the DIO mice (control mice received a normal diet). The anti-obesity effect of KC28 and the well-known probiotic strains Lact. rhamnosus GG (LGG) and Lact. plantarum 299v was assessed over 12 wk. Xenical served as anti-obesity control. The high-fat diet groups receiving strains KC28 and LGG and the control Xenical group showed significant weight loss and notable changes in some obesity-related biomarkers in the liver (significant up-regulation of PGC1-α and CPT1-α only by KC28; p < 0.05) and mesenteric adipose tissue (significant down-regulation of ACOX-1, PPAR-γ, and FAS; KC28 p < 0.001 for PPAR-γ and FAS), compared with the IF control. Favorable changes in the studied biomarkers suggest a similar beneficial influence of Lact. plantarum KC28 on the alleviation of obesity comparable with that of the two well-studied probiotic strains, LGG and 299v. This probably resulted from a modulation in the cecal microbiota of the IF group by either probiotic strain, yet in a different manner, showing a highly significant increase in the families Desulfovibrionaceae and Lactobacillaceae only in the group receiving Lact. plantarum KC28. Probiotics and Antimicrobial Proteins published new progress about 96829-58-2. 96829-58-2 belongs to class amides-buliding-blocks, and the molecular formula is C29H53NO5, Formula: C29H53NO5.

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

Crowe, Matthew C.; Kapoor, Ramesh N.; Cervantes-Lee, Francisco; Parkanyi, Laszlo; Schulte, Louis; Pannell, Keith H.; Brodbelt, Jennifer S. published the artcile< Investigating Bidentate and Tridentate Carbamoylmethylphosphine Oxide Ligand Interactions with Rare-Earth Elements Using Electrospray Ionization Quadrupole Ion Trap Mass Spectrometry>, Safety of 2-Chloro-N,N-diisobutylacetamide, the main research area is bidentate tridentate carbamoylmethylphosphine oxide ligand extractant rare earth element.

Electrospray ionization (ESI) quadrupole ion trap mass spectrometry (QIT-MS) and collisionally activated dissociation (CAD) were used to evaluate the rare-earth binding properties of two hydrophobic carbamoylmethylphosphine oxide (CMPO) ligands, the normal bidentate variety, (t-BuC6H4)2P(O)CH2C(O)N(i-Bu)2 (A), a new potentially tridentate extractant, (t-BuC6H4)2P(O)CH[CH2C(O)N(i-Bu)2]C(O)N(i-Bu)2 (B), and tri-Bu phosphate. The mass spectral results obtained from anal. of 1% HNO3/methanol solution containing the ligands and dissolved lanthanide salts reveal that the favorable stoichiometries of the ligand/metal/nitrate complexes are 2:1:2 for the bidentate ligand A, 1:1:2 for the tridentate ligand B, and 3:1:2 for the monodentate tri-Bu phosphate. These observed stoichiometries correlate with the number of available binding sites on each ligand as well as with potential steric effects. Energy-variable collisionally activated dissociation experiments showed that for the 2:1:2 complexes involving ligand A or B, as the ionic radius of the bound metal decreased, the removal of nitric acid required less energy and resulted in less extensive spontaneous solvent coordination. This exptl. trend suggests that, as the ionic radius of the lanthanide ion decreases, a pair of the carbamoylmethylphosphine ligands is able to more completely solvate the bound metal ion thereby weakening the nitrate-metal interaction.

Inorganic Chemistry published new progress about Chelating agents. 5326-82-9 belongs to class amides-buliding-blocks, and the molecular formula is C10H20ClNO, Safety of 2-Chloro-N,N-diisobutylacetamide.

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

Tyan, Yeu-Sheng; Lee, Yen-Po; Chuang, Hui-Yen; Wang, Wei-Hsun; Hwang, Jeng-Jong published the artcile< Effects of orlistat combined with enzalutamide and castration through inhibition of fatty acid synthase in a PC3 tumor-bearing mouse model>, Formula: C29H53NO5, the main research area is prostate cancer orlistat enzalutamide fatty acid synthase cell cycle; NF-kB; castration therapy; enzalutamide; fatty acid synthase; orlistat; prostate cancer.

Androgen deprivation therapy (ADT) is one of the typical treatments used for patients with prostate cancer (PCa). ADT, however, may fail when PCa develops castration-resistance. Fatty acid synthase (FASN), a critical enzyme involved in fatty acid synthesis, is found to be up-regulated in PCa. Since enzalutamide and ADT are frequently used for the treatment of PCa, the present study aimed to unravel the underlying mechanism of combination of orlistat, an FASN inhibitor, and enzalutamide using PC3 cell line; and orlistat and castration in PC3 tumor-bearing animal model. Cytotoxicity was determined by AlamarBlue assay. Drug effects on the cell cycle and protein expressions were assayed by the flow cytometry and Western blot. Electromobility shift assay was used to evaluate the NF-κB activity. The tumor growth delay, expressions of the signaling-related proteins, and histopathol. post treatments of orlistat and castration were evaluated in PC3 tumor-bearing mouse model. The results showed that orlistat arrested the PC3 cells at the G1 phase of the cell cycle and enhanced the cytotoxic effects of enzalutamide synergistically. Pretreatment with orlistat combined with castration inhibited the tumor growth significantly compared with those of castration and orlistat treatments alone in PC3 tumor-bearing mice. Combination treatment reduced both FASN and NF-κB activities and their downstream effector proteins. The present study demonstrated the synergistic effects of orlistat combined with enzalutamide in vitro and castration in vivo on human PCa.

Bioscience Reports published new progress about Androgen deprivation therapy. 96829-58-2 belongs to class amides-buliding-blocks, and the molecular formula is C29H53NO5, Formula: C29H53NO5.

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

Zhang, Ruifeng; Guo, Wei; Wang, Gaolei; Chen, Xiulei; Li, Zhong; Xu, Xiaoyong published the artcile< Synthesis and nematicidal activities of 1,2,3-benzotriazin-4-one derivatives containing benzo[d][1,2,3]thiadiazole against Meloidogyne incognita>, Recommanded Product: 2-Amino-4-bromobenzamide, the main research area is benzotriazinone benzothiadiazole derivative preparation nematocide Meloidogyne; 1,2,3-benzotriazin-4-one; Benzo[d][1,2,3]thiadiazole; Meloidogyne incognita; Nematicidal activity; Plant activator.

Based on the characteristic of benzo[d][1,2,3]thiadiazole to induce the systemic acquired resistance and improve the immunity of plants, benzo[d][1,2,3]thiadiazole was introduced into 1,2,3-benzotriazin-4-one, thirty-one novel 1,2,3-benzotriazin-4-one derivatives containing benzo[d][1,2,3]thiadiazole were designed and synthesized. Nematicidal activity showed that most of the synthesized compounds exhibited great inhibitory activity in vivo against Meloidogyne incognita at 20 mg/L. Among 31 tested compounds, I and II showed an excellent nematicidal activity with the inhibition rate of 50.4% and 53.1% at the concentration of 1.0 mg/L, resp. The influence of substituent type and position was studied. The relation between structure and activity was also preliminary analyzed.

Bioorganic & Medicinal Chemistry Letters published new progress about Meloidogyne incognita. 112253-70-0 belongs to class amides-buliding-blocks, and the molecular formula is C7H7BrN2O, Recommanded Product: 2-Amino-4-bromobenzamide.

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