Abdellattif, Magda H.’s team published research in Frontiers in Chemistry (Lausanne, Switzerland) in 9 | CAS: 79-07-2

Frontiers in Chemistry (Lausanne, Switzerland) published new progress about 79-07-2. 79-07-2 belongs to amides-buliding-blocks, auxiliary class Chloride,Amine,Aliphatic hydrocarbon chain,Amide,Inhibitor, name is 2-Chloroacetamide, and the molecular formula is C2H4ClNO, Application of 2-Chloroacetamide.

Abdellattif, Magda H. published the artcileNovel 2-hydroselenonicotinonitriles and selenopheno[2, 3-b]pyridines: efficient synthesis, molecular docking-DFT modeling, and antimicrobial assessment, Application of 2-Chloroacetamide, the publication is Frontiers in Chemistry (Lausanne, Switzerland) (2021), 672503, database is CAplus and MEDLINE.

Selenium containing heterocyclic compounds gained great interest as bioactive mols. as of late. This report explores the design, synthesis, characterization, and antimicrobial screening of new pyridine derivatives endowed with selenium moieties. A one-pot multicomponent system with a solvent-free, microwave irradiation environment was employed to afford this series. The spectroscopic techniques were exploited to verify the structures of the synthesized derivatives Addnl., the agar diffusion method was employed to determine the antimicrobial activity of all the desired compounds Of all the synthesized mols., few compounds exhibited well to remarkable antibacterial and antifungal activities. Moreover, derivative (E)-4,6-dimethyl-2-selenoxo-5-((3,4,5-trimethoxyphenyl)diazenyl)-1,2-dihydropyridine-3-carbonitrile demonstrated the most potent antibacterial and antifungal performance. The results were also supported by mol. docking studies, utilizing the MOE (mol. operating environment) which revealed the best binding mode with the highest energy interaction within the binding pocket. Lastly, theor. DFT calculations were carried out in a gas phase at B3LYP 6-311G (d,p) basis set to predict the mol. geometries and chem. reactivity descriptors. DFT results have been used to illustrate that mol. docking findings and biol. activity assessments.

Frontiers in Chemistry (Lausanne, Switzerland) published new progress about 79-07-2. 79-07-2 belongs to amides-buliding-blocks, auxiliary class Chloride,Amine,Aliphatic hydrocarbon chain,Amide,Inhibitor, name is 2-Chloroacetamide, and the molecular formula is C2H4ClNO, Application of 2-Chloroacetamide.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Abdellatif, Khaled R. A.’s team published research in Bioorganic Chemistry in 120 | CAS: 169590-42-5

Bioorganic Chemistry published new progress about 169590-42-5. 169590-42-5 belongs to amides-buliding-blocks, auxiliary class Sulfamide,Immunology/Inflammation,COX, name is 4-(5-(p-Tolyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide, and the molecular formula is C17H14F3N3O2S, Synthetic Route of 169590-42-5.

Abdellatif, Khaled R. A. published the artcileDesign, synthesis, and pharmacological evaluation of novel and selective COX-2 inhibitors based on celecoxib scaffold supported with in vivo anti-inflammatory activity, ulcerogenic liability, ADME profiling and docking study, Synthetic Route of 169590-42-5, the publication is Bioorganic Chemistry (2022), 105627, database is CAplus and MEDLINE.

Four new series of 1,2,4 triazole derivatives 4a,b 5a-d, 6a-f, and 7a,b possessing methylsulfonylphenyl moiety as COX-2 pharmacophore were designed and synthesized. The target compounds were prepared and evaluated in-vitro against COX-1 and COX-2 enzymes. Compounds 4a, 5b, 6a, and 7a showed the highest selectivity towards the COX-2 enzyme (S.I. = 8.64-14.58) in comparison to celecoxib (S.I. = . 6.44). Interestingly, compounds 4a, 6a, and 7a showed good anti-inflammatory activity with edema inhibition (54.17, 53.03, and 50.29 %, in order) relative to the reference drug celecoxib (49.60%) after 3 h. Addnl., these potent derivatives 4a, 5b, 6a and 7a were significantly less ulcerogenic (U.I. = 2.27-2.97) than both reference drugs celecoxib (U.I. = 2.99) and indomethacin (U.I. = 20.25). Besides, a histopathol. study of the stomach was also included. Moreover, docking simulation for the most selective compounds 4a, 5b, 6a, and 7a inside COX-2 active site was performed to explain their binding mode. Finally, an ADME study was applied and proved the promising activity of the new compounds as a new oral anti-inflammatory agent. In conclusion, the above findings reveal that newly developed compounds 4a, 6a, and 7a represent a potential selective COX-2 NSAID candidate with min. gastrointestinal risks.

Bioorganic Chemistry published new progress about 169590-42-5. 169590-42-5 belongs to amides-buliding-blocks, auxiliary class Sulfamide,Immunology/Inflammation,COX, name is 4-(5-(p-Tolyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)benzenesulfonamide, and the molecular formula is C17H14F3N3O2S, Synthetic Route of 169590-42-5.

Referemce:
https://en.wikipedia.org/wiki/Amide,
Amide – an overview | ScienceDirect Topics

Dubouis, Arnaud’s team published research in Annals of vascular surgery in 2020-07-04 | CAS: 123-39-7

Annals of vascular surgery published new progress in MEDLINE about 123-39-7, 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Formula: C2H5NO.

Dubouis, Arnaud published the artcileResults of the Surgical Management of Acute Limb Ischemia in the Nonagenarians., Formula: C2H5NO, the main research area is .

BACKGROUND: The aging of the population leads us to treat older patients, in particular presenting with acute limb ischemia (ALI). However, there has been little evaluation of this pathology in the nonagenarians. The objectives of this work are thus to evaluate the 1-month and 1-year mortality of the nonagenarians treated for ALI, which made possible to determine the 1-year survival and to highlight the factors influencing the mortality. METHODS: This is a monocentric retrospective study including all the patients aged 90 years old or more surgically treated for ALI between January 2012 and December 2016. In all the patients, we recorded the 1-month mortality and the 1-year survival and the demographic, clinical, and paraclinical data. RESULTS: We operated 83 nonagenarians, with a majority of women (59, 71.1%), using general anesthesia in 20 patients (16.6%), including 10 cases of upper limb acute ischemia (12.0%). The overall mortality rate at 1 month was 22.9%, and the 1-year survival rate was 43.4%. Major amputation rate was 9.6% at 1 year. The survival of the patients operated for upper or lower limb ischemia was similar (P = 0.82). Univariate analysis showed that the 1-year survival was lower in patients having a history of cerebrovascular problems (P = 0.0003), heart failure (P = 0.0027), dementia (P = 0.0452), or in patients that were institutionalized (P = 0.0125), invalid (P = 0.0001), or presented with a complete acute ischemia (P = 0.0002). In multivariate analysis, 3 risk factors remained statistically significant: a previous history of cerebrovascular accident (hazard ratio [HR] = 3.05 [1.54-6.02]; P = 0.0014), cardiac failure (HR = 2.21 [1.23-3.97]; P = 0.0083), and complete ALI (HR = 3.07 [1.64-5.75]; P = 0.0005). CONCLUSIONS: Our study showed that a history of cerebrovascular accident, cardiac failure, or complete ALI is a poor prognostic factor for the 1-year survival of nonagenarians dealt operated for ALI. These elements should be taken into account when deciding either to operate or not in this precise context.

Annals of vascular surgery published new progress in MEDLINE about 123-39-7, 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Formula: C2H5NO.

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

Utine, Canan Asli’s team published research in Eye & contact lens in 2018 | CAS: 359-38-6

Eye & contact lens published new progress in MEDLINE about 359-38-6, 359-38-6 belongs to class amides-buliding-blocks, name is 2,2-Difluoroacetamide, and the molecular formula is C2H3F2NO, COA of Formula: C2H3F2NO.

Utine, Canan Asli published the artcileEffects of Preoperative Topometric Indices on Visual Gain After Intracorneal Ring Segment Implantation For Keratoconus., COA of Formula: C2H3F2NO, the main research area is .

OBJECTIVES: To assess the corneal topometric parameters that can be predictive for better visual gain after intracorneal ring segment (ICRS) implantation in eyes with keratoconus. METHODS: A total of 42 eyes of 32 patients who underwent ICRS implantation at Dokuz Eylul University, Deparment of Ophthalmology, Cornea Divison were included. Changes in uncorrected distance visual acuity (UDVA), corrected distance visual acuity (CDVA), refractive errors, and corneal topometric indices measured using Scheimpflug topography (Pentacam, Oculus) were evaluated retrospectively. RESULTS: After creation of intrastromal tunnels of 5.01±0.03 mm inner diameter, 5.71±0.03 mm outer diameter and at 384.21±34.12 μm depth, 1 or 2 ICRS of 150 to 350 µm thickness and 90 to 210° arc length were implanted. Preoperative UDVA of 0.09±0.10 and CDVA of 0.29±0.14 Snellen lines improved postoperatively to 0.42±0.26 and 0.62±0.24, respectively (P<0.001 for both). Preoperative spherical equivalent of -6.35±4.58D and refractive astigmatism of -5.89±2.40D decreased to -3.59±3.86 and -2.25±1.66D, retrospectively (P<0.001 for both). Strong negative correlations were detected between preoperative mean simulated keratometry (SimKavg)/index of surface variance (ISV) and changes in UDVA/CDVA (P<0.01, for all). Postoperative change in ISV was positively correlated with thicknesses of implanted rings. Change in topographical keratoconus classification was positively and change in index of vertical asymmetry was negatively correlated with number of implanted rings (P<0.05 for all). CONCLUSIONS: Preoperative ISV value seems to be beneficial in predicting visual gain after ICRS implantation, in addition to SimKavg. Future work on new nomograms for ICRS selection that include ISV, besides refractive, topographic, and cone location data, is warranted. Eye & contact lens published new progress in MEDLINE about 359-38-6, 359-38-6 belongs to class amides-buliding-blocks, name is 2,2-Difluoroacetamide, and the molecular formula is C2H3F2NO, COA of Formula: C2H3F2NO.

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

Shingare, M. S.’s team published research in Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry in 1979-09-30 | CAS: 35203-88-4

Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry published new progress about thiazole amino sulfamoylphenyl; chlorosulfonation arylthiazole; sulfonamide; phenylsulfonamide; aminothiazole. 35203-88-4 belongs to class amides-buliding-blocks, name is 3-Acetylbenzenesulfonamide, and the molecular formula is C8H9NO3S, Quality Control of 35203-88-4.

Shingare, M. S. published the artcileSynthesis of sulfonamides derived from 2-acetamido-4-(3′-chlorosulfonyl-4′-aryl)thiazoles, Quality Control of 35203-88-4, the main research area is thiazole amino sulfamoylphenyl; chlorosulfonation arylthiazole; sulfonamide; phenylsulfonamide; aminothiazole.

Chlorosulfonation of 2-acetamido-4-arylthiazoles yielded 2-acetamido-4-(3-chlorosulfonyl-4-substituted aryl)thiazoles, which were converted into the corresponding sulfonamides I (R = Me, Cl, Br) and N-substituted phenyl-sulfonamides II (R1 = H, Me, Cl, OMe, OEt, Br). II were hydrolysed to the resp. 2-aminothiazoles. The position of sulfonamido group in I was confirmed by NMR spectra and chem. methods.

Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry published new progress about thiazole amino sulfamoylphenyl; chlorosulfonation arylthiazole; sulfonamide; phenylsulfonamide; aminothiazole. 35203-88-4 belongs to class amides-buliding-blocks, name is 3-Acetylbenzenesulfonamide, and the molecular formula is C8H9NO3S, Quality Control of 35203-88-4.

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

Zhang, Bonan’s team published research in Anticancer research in 2020 | CAS: 123-39-7

Anticancer research published new progress about SBRT; SRT; Stereotactic body radiation therapy; oligometastatic prostate cancer; prostate neoplasm; review. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Recommanded Product: N-Methylformamide.

Zhang, Bonan published the artcileA Review of Stereotactic Body Radiation Therapy in the Management of Oligometastatic Prostate Cancer., Recommanded Product: N-Methylformamide, the main research area is SBRT; SRT; Stereotactic body radiation therapy; oligometastatic prostate cancer; prostate neoplasm; review.

BACKGROUND/AIM: Management strategies such as surgery and systemic therapy (androgen-deprivation therapy and chemotherapy) are considered a standard of care for patients with oligometastatic prostate cancer and have shown some positive results in many patients. However, they are often accompanied by side-effects that can negatively affect patients. The aim of this study is to review the potential of stereotactic body radiation therapy (SBRT) in the management of oligometastatic prostate cancer and to compare treatment outcomes with SBRT to those under standard of care management regarding progression-free survival (PFS), androgen-deprivation therapy (ADT)-free survival and local control rate (LCR) as well as a comparison of toxicity profiles. MATERIALS AND METHODS: MEDLINE (PubMed), EMBASE, and Clinicaltrials.gov databases were searched to identify prospective randomised controlled trials as well as retrospective studies investigating SBRT and standard of care management for oligometastatic prostate cancer. Data on treatment outcomes and toxicity profiles were extracted. RESULTS: A total of 18 studies were included: 14 reported on the use of SBRT and four reported on the use of standard of care management. For SBRT, median PFS was 7.36-24 months. Median ADT-free survival was 12.3-39.7 months. The LCR varied, with some reports of 100% at 6 months and others of 92% at 5 years. No significant grade 3 toxicity was reported, with only five grade 3 events reported in two studies. For standard of care management, most of the studies reported 3-year PFS of 46.9-58.6%, with one study reporting a median PFS of 38.6 months. No standard of care study reported on LCR and ADT-free survival. Although different toxicity grading systems were used depending on the treatment modality, there were some reports of grade 3 events using standard of care management. CONCLUSION: SBRT appears to be a safe and effective modality for treating oligometastatic prostate cancer, having the potential to defer palliative ADT. Although LCR is excellent compared to conventional therapies, the PFS rate is reportedly inferior to standard of care therapies. No significant grade 3 toxicity was observed with SBRT.

Anticancer research published new progress about SBRT; SRT; Stereotactic body radiation therapy; oligometastatic prostate cancer; prostate neoplasm; review. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, Recommanded Product: N-Methylformamide.

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

Bhise, Nandu Baban’s team published research in Synthetic Communications in 2009-05-01 | CAS: 1159977-36-2

Synthetic Communications published new progress about bicalutamide impurity synthesis. 1159977-36-2 belongs to class amides-buliding-blocks, name is N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-((2-fluorophenyl)sulfonyl)-2-hydroxy-2-methylpropanamide, and the molecular formula is C18H14F4N2O4S, Recommanded Product: N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-((2-fluorophenyl)sulfonyl)-2-hydroxy-2-methylpropanamide.

Bhise, Nandu Baban published the artcileSynthesis of potential impurities of bicalutamide, Recommanded Product: N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-((2-fluorophenyl)sulfonyl)-2-hydroxy-2-methylpropanamide, the main research area is bicalutamide impurity synthesis.

During the bulk synthesis of bicalutamide (bical), which is an oral nonsteroidal, anti-androgen drug used for prostate cancer, various impurities are formed. The present work details the development of simple processes for the preparation of impurities of bicalutamide, viz bical-sulfoxides, bical-deshydroxy, bical-desfluoro, bical-2-fluoro, and bical-3-fluoro derivatives

Synthetic Communications published new progress about bicalutamide impurity synthesis. 1159977-36-2 belongs to class amides-buliding-blocks, name is N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-((2-fluorophenyl)sulfonyl)-2-hydroxy-2-methylpropanamide, and the molecular formula is C18H14F4N2O4S, Recommanded Product: N-(4-Cyano-3-(trifluoromethyl)phenyl)-3-((2-fluorophenyl)sulfonyl)-2-hydroxy-2-methylpropanamide.

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

Brown, Trevor N.’s team published research in Fluid Phase Equilibria in 2021-07-15 | CAS: 123-39-7

Fluid Phase Equilibria published new progress about Air. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, COA of Formula: C2H5NO.

Brown, Trevor N. published the artcileEmpirical regressions between system parameters and solute descriptors of polyparameter linear free energy relationships (PPLFERs) for predicting solvent-air partitioning, COA of Formula: C2H5NO, the main research area is solvent air partitioning regression system parameter solute descriptor PPLFER.

Polyparameter Linear Free Energy Relationships (PPLFERs) are an empirical tool used to predict the equilibrium partitioning of solutes between two phases, referred to as a system. There are exptl. determined solute descriptors for thousands of chems., but there are only on the order of 100 systems with calibrated system parameters, the majority of which are solvents and environmental matrixes in equilibrium with air or water. The goal of this work is to create empirical regressions which use the much more numerous solute descriptors to predict the system parameters of systems which have not yet been calibrated due to a lack of partitioning data. The special case of liquid solvents in equilibrium with air is the focus of this work because this is the case in which the relationship between solute and solvent properties is most clear. First a consistent dataset of PPLFER equations was compiled using partition coefficient data from the literature to recalibrate equations for solvent-air partitioning into the Goss form (Goss, K.-U. 2005) for 89 solvents including water. All 89 solvents have also solute descriptors available in a database curated for this work which describe their behavior as solutes. The pool of descriptors drawn from to create the empirical regressions were the solute descriptors of the solvents normalized to McGowan volume (V), along with interaction parameters between the normalized descriptors. An applicability domain (AD) for the empirical regressions was defined using leverage to measure similarity to the training dataset of solvents, and solvents in the AD typically had lower RMSE for predictions. Some of the empirical regressions for the six system parameters have good predictive power (s, a, b, c) while others are only adequate (v, l). However, when these equations are combined to predict partition coefficients there is a significant cancellation of error and when predicting partition coefficients in an external validation dataset the RMSE is in the range 0.30-0.35. The empirical regressions combined with the PPLFER equations and solvent d. can also be used to predict vapor pressures as an addnl. external validation. Predictions for a dataset of vapor pressures from the literature had an RMSE of 0.26-0.75. Analyzing and comparing the results from these two external validation datasets the RMSE for predicting datasets of partition coefficients for arbitrary solutes in arbitrary systems of solvents in equilibrium with air is estimated to be 0.66 on average

Fluid Phase Equilibria published new progress about Air. 123-39-7 belongs to class amides-buliding-blocks, name is N-Methylformamide, and the molecular formula is C2H5NO, COA of Formula: C2H5NO.

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

Claeys, E. G.’s team published research in Bulletin des Societes Chimiques Belges in 1961 | CAS: 359-38-6

Bulletin des Societes Chimiques Belges published new progress about Air. 359-38-6 belongs to class amides-buliding-blocks, name is 2,2-Difluoroacetamide, and the molecular formula is C2H3F2NO, Application of 2,2-Difluoroacetamide.

Claeys, E. G. published the artcileHigasi’s method for the determination of electric dipole moments, Application of 2,2-Difluoroacetamide, the main research area is .

The Higasi equation for calculating the dipole moment (CA 43, 7764a) does not require determination of n or calculation of molar refraction. Application to air- and moisture-sensitive compounds would be useful, to avoid the exposure these measurements require. Organometallic compounds of As and Sn and several halo derivs of acetamide and acetaldehyde in several solvents were used and the values for elec. moment were compared, for the classical method, and Higasi’s treatment. Agreement was within exptl. error; there was a maximum deviation of 0.17D., but an average deviation of only 0.05 D. for 14 compounds Solvent effects on measured moments are counted for both classical and Higasi methods.

Bulletin des Societes Chimiques Belges published new progress about Air. 359-38-6 belongs to class amides-buliding-blocks, name is 2,2-Difluoroacetamide, and the molecular formula is C2H3F2NO, Application of 2,2-Difluoroacetamide.

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

Pendlebury, M. H.’s team published research in Organic Magnetic Resonance in 1972 | CAS: 359-38-6

Organic Magnetic Resonance published new progress about Bond. 359-38-6 belongs to class amides-buliding-blocks, name is 2,2-Difluoroacetamide, and the molecular formula is C2H3F2NO, Synthetic Route of 359-38-6.

Pendlebury, M. H. published the artcileBarriers to rotation about carbon-nitrogen bonds. I. Rotation about the carbon-nitrogen bond in mono-, di-, and trifluoroacetamide, and deuterium isotope effects upon fluorine-19 shielding, Synthetic Route of 359-38-6, the main research area is fluoroacetamide NMR; acetamide fluoro NMR; rotation carbon nitrogen fluoroacetamide; fluorine shielding fluoroacetamide.

The 19F NMR spectra of FCH2CONH2 (I) and F2CHCONH2 (II) are used to derive the activation parameters for rotation about the C-N bond; it is not possible to obtain useful results for CF3CO2NH2 (III). A total line shape anal. is used. Unusually large D isotope effects on the shielding of the 19F nucleus were observed for N-deuterated derivatives The magnitude of the isotope effect is different for I-III, and in the mono-deuterated species the isotope effect is different for cis and trans rotational isomers.

Organic Magnetic Resonance published new progress about Bond. 359-38-6 belongs to class amides-buliding-blocks, name is 2,2-Difluoroacetamide, and the molecular formula is C2H3F2NO, Synthetic Route of 359-38-6.

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