Category: amides-buliding-blocks

Dean, Conor; Rajkumar, Sundaram; Roesner, Stefan; Carson, Nessa; Clarkson, Guy J.; Wills, Martin; Jones, Matthew; Shipman, Michael published the artcile< Readily accessible sp3-rich cyclic hydrazine frameworks exploiting nitrogen fluxionality>, Synthetic Route of 1192620-83-9, the main research area is cyclic hydrazine preparation enantioselective principal moment inertia.

Here, a strategy for the creation of sp3-rich, non-planar heterocyclic scaffolds e.g., I suitable for drug discovery is described that obviates the need to generate multiple stereogenic centers with independent control. Asym. transfer hydrogenation using a tethered Ru-catalyst is used to efficiently produce a range of enantiopure cyclic hydrazine building blocks (up to 99% ee) e.g., I. Iterative C-N functionalization at the two nitrogen atoms of these compounds produces novel hydrazine and hydrazide based chem. libraries e.g., I. Wide chem. diversification is possible through variation in the hydrazine structure, use of different functionalization chemistries and coupling partners, and controlled engagement of each nitrogen of the hydrazine in turn. Principal Moment of Inertia (PMI) anal. of this small hydrazine library reveals excellent shape diversity and three-dimensionality. NMR and crystallog. studies confirm that the frameworks prefer to orient their substituents in three-dimensional space under the control of a single stereogenic center through exploitation of the fluxional behavior of the two nitrogen atoms.

Chemical Science published new progress about Aromatic alcohols Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 1192620-83-9 belongs to class amides-buliding-blocks, and the molecular formula is C30H31ClN2O2RuS, Synthetic Route of 1192620-83-9.

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

Esmail, Vian Ahmed Wasta; Mohammed, Mohammed Omer; Al-Nimer, Marwan S M published the artcile< Short-term orlistat therapy improves fatty infiltration indices and liver fibrosis scores in patients with non-alcoholic fatty liver disease and metabolic syndrome.>, SDS of cas: 96829-58-2, the main research area is Lipid indices; Liver fibrosis scores; Metabolic syndrome; Non-alcoholic fatty liver disease.

BACKGROUND AND STUDY AIMS: Patients with non-alcoholic fatty liver disease (NAFLD) exhibit features of metabolic syndrome, including a high body mass index, central obesity, high blood pressure, and abnormal lipid profile values. Orlistat, an intestinal lipase enzyme inhibitor, improves insulin resistance. We aimed to investigate the effects of short-term therapy with orlistat on the components of metabolic syndrome associated with NAFLD and explore its effect on liver fibrosis scores. PATIENTS AND METHODS: An open-label placebo-controlled clinical study using orlistat for 12 weeks was carried out on 50 patients with NAFLD. They were divided into a placebo group (Group I) and an orlistat treatment group (120 mg per day, Group II). The diagnosis of NAFLD was made by ultrasonography and laboratory investigations. Anthropometric and blood pressure measurements and hepatic liver enzymes, fasting lipids, and blood glucose levels were determined before and after treatment. Lipid indices including cholesterol (Chol-I), triglyceride (TG-I), triglyceride-glucose (TYG-I), and the scores for lipid fibrosis using the NAFLD fibrosis score (NFS) and Fibrosis-4 score (Fib-4) were also determined. RESULTS: Orlistat significantly improved the anthropometric and metabolic indices (TG-I, TYG-I) and liver enzymes. Orlistat demonstrated a favorable impact on the NAS and Fib-4 scores for liver fibrosis. CONCLUSION: Orlistat improves the components of metabolic syndrome, leading to the improvement of insulin resistance and thereby improves fatty infiltration of the liver. To a lesser extent, orlistat improved the liver fibrosis scores.

Arab journal of gastroenterology : the official publication of the Pan-Arab Association of Gastroenterology published new progress about 96829-58-2. 96829-58-2 belongs to class amides-buliding-blocks, and the molecular formula is C29H53NO5, SDS of cas: 96829-58-2.

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

Guo, Yongbiao; Gao, Zhenhua; Li, Junchen; Bi, Xiaojing; Shi, Enxue; Xiao, Junhua published the artcile< Practical catalytic enantioselective synthesis of 2,3-dihydroquin-azolinones by chiral bronsted acid catalysis>, Name: 2-Amino-4-bromobenzamide, the main research area is dihydroquinazolinone preparation enantioselective.

Herein, The highly efficient and practical synthesis of 2,3-dihydroquinazolinones I [R1 = n-Pr, cyclohexyl, Ph, etc.; R2 = H, Me, allyl; R3 = H, Me; R4 = H, 6-Me, 7-Cl, etc.; X = O, S] directly from diverse aldehydes with excellent yields and enantioselectivity was reported. Particularly, this protocol afforded better enantiocontrol for aliphatic aldehydes (up to 99% yield, 97% ee), which always gave unsatisfactory results in the previous studies. Moreover, this catalytic system showed wide tolerance to different functional groups such as alkenyl, nitro and halogens. Most importantly, its practicability was well elucidated via the gram-scale synthesis of different types of products at 0.1 mol% catalyst loading and the simplified work-up procedure. To better understand the reaction pathway and origin of the enantioselectivity, DFT calculations were also performed.

Organic & Biomolecular Chemistry published new progress about Aldehydes Role: RCT (Reactant), RACT (Reactant or Reagent). 112253-70-0 belongs to class amides-buliding-blocks, and the molecular formula is C7H7BrN2O, Name: 2-Amino-4-bromobenzamide.

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

Chew, Renta Jonathan; Wills, Martin published the artcile< Exploitation of differential electronic densities for the stereoselective reduction of ketones bearing a masked amino surrogate>, Application In Synthesis of 1192620-83-9, the main research area is phthalimidyl ketoether preparation ruthenium catalyst enantioselective transfer hydrogenation; ether alc phthalimidyl preparation.

A tethered ruthenium-TsDPEN catalyst was employed for the facile catalytic asym. reduction of α-phthalimyl-α’-ketoethers under mild conditions. Leveraging exclusively on the contrasting electronic densities on the heteroatoms, a series of enantioenriched phthalimyl ether alcs. were obtained in generally good stereoselectivities from this challenging class of substrate. Subsequent transformation into highly valuable chiral β-amino alcs. was demonstrated to take place without significant losses in yield and optical purity.

Journal of Catalysis published new progress about Alcohols Role: RCT (Reactant), SPN (Synthetic Preparation), RACT (Reactant or Reagent), PREP (Preparation). 1192620-83-9 belongs to class amides-buliding-blocks, and the molecular formula is C30H31ClN2O2RuS, Application In Synthesis of 1192620-83-9.

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

Chuang, Hui-Yen; Lee, Yen-Po; Lin, Wei-Chan; Lin, Yi-Hsien; Hwang, Jeng-Jong published the artcile< Fatty Acid Inhibition Sensitizes Androgen-Dependent and -Independent Prostate Cancer to Radiotherapy via FASN/NF-κB Pathway>, HPLC of Formula: 96829-58-2, the main research area is ionizing radiation androgen receptor FASN NFkappaB signaling radiotherapy.

Elevated fatty acid synthase (FASN) has been reported in both androgen-dependent and -independent prostate cancers. Conventional treatment for prostate cancer is radiotherapy (RT); however, the following radiation-induced radioresistance often causes treatment failure. Upstream proteins of FASN such as Akt and NF-κB are found increased in the radioresistant prostate cancer cells. Nevertheless, whether inhibition of FASN could improve RT outcomes and reverse radiosensitivity of prostate cancer cells is still unknown. Here, we hypothesized that orlistat, a FASN inhibitor, could improve RT outcomes in prostate cancer. Orlistat treatment significantly reduced the S phase population in both androgen-dependent and -independent prostate cancer cells. Combination of orlistat and RT significantly decreased NF-κB activity and related downstream proteins in both prostate cancer cells. Combination effect of orlistat and RT was further investigated in both LNCaP and PC3 tumor-bearing mice. Combination treatment showed the best tumor inhibition compared to that of orlistat alone or RT alone. These results suggest that prostate cancer treated by conventional RT could be improved by orlistat via inhibition of FASN.

Scientific Reports published new progress about Androgen receptors Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 96829-58-2 belongs to class amides-buliding-blocks, and the molecular formula is C29H53NO5, HPLC of Formula: 96829-58-2.

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

Daniel, Alyssa; Kim, Kelly; Shanmugam, Neel; Sinha, Sneha; Varadharajan, Advika; Acree, William E. published the artcile< Abraham model correlations for solute transfer into cyclopentanone>, SDS of cas: 6961-82-6, the main research area is cyclopentanone anthracene pyrene Abraham model correlation.

Mole fraction solubilities have been measured for anthracene, benzoic acid, 4-tert-butylbenzoic acid, 3-chlorobenzoic acid, 2-hydroxybenzoic acid, 2-methylbenzoic acid, 3-methylbenzoic acid, 3-nitrobenzoic acid and pyrene dissolved in cyclopentanone at 298.15 K using either spectrophotometric or acid-base titrimetric methods. Results of our exptl. measurements, combined with published solubility data for several inorganic and organic gases, solubility data for several important crystalline pharmaceutical intermediates and activity coefficient data taken from the published literature, were used to derive Abraham model correlations for solute transfer into anhydrous cyclopentanone solvent from both water and from the gas phase. The derived Abraham model correlations back-calculate the observed exptl. data to within 0.10 log units (or less). Reported for the first time are solute descriptor values for several important pharmaceutical intermediates.

Physics and Chemistry of Liquids published new progress about Regression analysis. 6961-82-6 belongs to class amides-buliding-blocks, and the molecular formula is C6H6ClNO2S, SDS of cas: 6961-82-6.

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

Scott, Andrew D.; Phillips, Chris; Alex, Alexander; Flocco, Maria; Bent, Andrew; Randall, Amy; O’Brien, Ronan; Damian, Luminita; Jones, Lyn H. published the artcile< Thermodynamic Optimisation in Drug Discovery: A Case Study using Carbonic Anhydrase Inhibitors>, Name: 3-Fluorobenzenesulfonamide, the main research area is benzene sulfonamide preparation carbonic anhydrase crystal structure thermodn binding.

The only method that directly measures the thermodn. of a binding event in solution is isothermal titration calorimetry (ITC). We chose human carbonic anhydrase (hCA II) as a favorable system for this investigation as there is already a wealth of both 3D structures and calorimetric data available, which has established this protein as the leading model system. The binding of BSA to hCA II is driven mainly through four H bonds from the sulfonamide, two H bonds to the Zn co-factor (which is itself coordinated by three histidine residues: His94, His96 and His119) and two H bonds to Thr199. ITC anal. was performed on seventeen benzenesulfonamide derivatives (1-17) and three benzylamide para-substituted benzene sulfonamides (18-20) by titration into hCA II. In the case described, ITC measurements, along with X-ray structural studies, indicated that one compound (2-F, 2) was binding to its target by specific (polar) interactions, as opposed to hydrophobicity (e.g. 3-F), and this ultimately led to a higher affinity lead-like compound that retained the enthalpic advantage of the smaller core compound It should be noted that in this case, the compounds chosen were small, fragment-like (< 250 Da) compounds with relatively high affinity for the target, limited flexibility, and a low number of possible interactions (i.e., typical compounds found in fragment libraries), and are therefore related to the concept of ""ligand efficient"" compounds These compounds are ideal for this type of anal. and the utilization of this approach for larger, lower affinity compounds, where the degree of complexity in the thermodn. is substantially greater, requires further investigation. ChemMedChem published new progress about Carbonic anhydrase inhibitors. 1524-40-9 belongs to class amides-buliding-blocks, and the molecular formula is C6H6FNO2S, Name: 3-Fluorobenzenesulfonamide.

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

Yuan, Zhong; DeFalco, Frank; Wang, Lu; Hester, Laura; Weaver, James; Swerdel, Joel N.; Freedman, Amy; Ryan, Patrick; Schuemie, Martijn; Qiu, Rose; Yee, Jacqueline; Meininger, Gary; Berlin, Jesse A.; Rosenthal, Norman published the artcile< Acute pancreatitis risk in type 2 diabetes patients treated with canagliflozin versus other antihyperglycemic agents: an observational claims database study>, Related Products of 94-20-2, the main research area is canagliflozin antihyperglycemic SGLT2 inhibitor acute pancreatitis type 2 diabetes; Acute pancreatitis; canagliflozin; observational study; type 2 diabetes.

Observational evidence suggests that patients with type 2 diabetes mellitus (T2DM) are at increased risk for acute pancreatitis (AP) vs. those without T2DM. A small number of AP events were reported in clin. trials of the sodium glucose co-transporter 2 inhibitor canagliflozin, though no imbalances were observed between treatment groups. This observational study evaluated risk of AP among new users of canagliflozin compared with new users of six classes of other antihyperglycemic agents (AHAs). Three US claims databases were analyzed based on a prespecified protocol approved by the European Medicines Agency. Propensity score adjustment controlled for imbalances in baseline covariates. Cox regression models estimated the hazard ratio of AP with canagliflozin compared with other AHAs using on-treatment (primary) and intent-to-treat approaches. Sensitivity analyses assessed robustness of findings. Across the three databases, there were between 12,023-80,986 new users of canagliflozin; the unadjusted incidence rates of AP (per 1000 person-years) were between 1.5-2.2 for canagliflozin and 1.1-6.6 for other AHAs. The risk of AP was generally similar for new users of canagliflozin compared with new users of glucagon-like peptide-1 receptor agonists, dipeptidyl peptidase-4 inhibitors, sulfonylureas, thiazolidinediones, insulin, and other AHAs, with no consistent between-treatment differences observed across databases. Intent-to-treat and sensitivity anal. findings were qual. consistent with on-treatment findings. In this large observational study, incidence rates of AP in patients with T2DM treated with canagliflozin or other AHAs were generally similar, with no evidence suggesting that canagliflozin is associated with increased risk of AP compared with other AHAs.

Current Medical Research and Opinion published new progress about Acute pancreatitis. 94-20-2 belongs to class amides-buliding-blocks, and the molecular formula is C10H13ClN2O3S, Related Products of 94-20-2.

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

Liu, Huimin; Wang, Shui; Qu, Chao; Li, Manman; Qu, Yixin published the artcile< Solid-Liquid Equilibrium of Chlorpropamide in 14 Pure Solvents at Temperature of 283.15 to 323.15 K>, Formula: C10H13ClN2O3S, the main research area is solid liquid equilibrium chlorpropamide alkanol acetate ester solubility thermodn.

The solubility of chlorpropamide (CPA) in 14 solvents including 8 alcs. (ethanol, n-propanol, isopropanol, n-butanol, 2-butanol, iso-butanol, n-pentanol, and isopentanol) and 6 acetate esters (Et acetate, Pr acetate, iso-Pr acetate, Bu acetate, amyl acetate, and Me propionate) at temperatures of 283.15 to 323.15 K and atm. pressure was determined using a laser method. The solubility as a function of temperature was regressed using modified Apelblat, Van’t Hoff, λh, Wilson, and nonrandom two-liquid (NRTL) models. On the basis of the exptl. and the simulation results, the mixing properties of the solutions, i.e., mixing Gibbs energy, enthalpy, and entropy, were estimated

Journal of Chemical & Engineering Data published new progress about Free energy of transfer (mixing free energy). 94-20-2 belongs to class amides-buliding-blocks, and the molecular formula is C10H13ClN2O3S, Formula: C10H13ClN2O3S.

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

Zhao, Jing; Zhang, Zhanwen; Nie, Dahong; Ma, Hui; Yuan, Gongjun; Su, Shu; Liu, Shaoyu; Liu, Sheng; Tang, Ganghua published the artcile< PET imaging of hepatocellular carcinomas: 18F-fluoropropionic acid as a complementary radiotracer for 18F-fluorodeoxyglucose>, Formula: C29H53NO5, the main research area is F-fluorodeoxyglucose (F-FDG); F-fluoropropionic acid (F-FPA); hepatocellular carcinoma (HCC); positron emission tomography (PET).

Objective: To evaluate the preclin. value of 18F-fluoropropionic acid (18F-FPA) and 18F-fluorodeoxyglucose (18F-FDG) positron emission tomog. (PET) for imaging HCCs. Methods: The 18F-FPAand 18F-FDGuptake patterns in 3HCCcell lines (Hep3B,HepG2, and SK-Hep1) were assessed in vitro and in vivo. The 18F-FPAuptakemechanismwas investigated using inhibition experimentswith orlistat and 5-tetradecyloxy-2-furoic acid.The 18F-FPAPET imagingwas performed in different tumor animalmodels and compared with 18F-FDG.We also evaluated the expressions of glucose transporter-1 (GLUT1), fatty acid synthase (FASN), and matrix metalloproteinase-2 (MMP2) in these cell lines. Results: In vitro experiments showed that the radiotracer uptake patterns were complementary in the HCC cell lines. Orlistat and 5-tetradecyloxy-2-furoic acid decreased the uptake of 18F-FPA. The tumor-to-liver ratio of 18F-FPA was superior to that of 18F-FDG in the SK-Hep1 and HepG2 tumors (P < .05). However, in the Hep3B tumors, the tumor-to-liver normalized uptake of 18F-FDG was higher than 18F-FPA (P < .01). FASN was highly expressed in cell lines with high 18F-FPA uptake, whereas GLUT1 was highly expressed in cell lines with high 18F-FDG uptake. The 18F-FPA uptake correlated with FASN (r = 0.89, P = .014) and MMP2 (r = 0.77, P = .002) expressions. Conclusions: PET imaging with 18F-FPA combined with 18F-FDG can be an alternative for detecting HCC. Molecular Imaging 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