Category: amides-buliding-blocks

Bossi, R. published the artcileAnalysis of polar pesticides in rainwater in Denmark by liquid chromatography-tandem mass spectrometry, Recommanded Product: 2,4-Dichlorobenzamide, the publication is Journal of Chromatography A (2002), 957(1), 27-36, database is CAplus and MEDLINE.

A new LC-MS-MS method for anal. of rainwater was developed and validated for 53 pesticides, degradation products of pesticides and selected nitrophenols. The method was used to monitor the concentration of pesticides in rainwater at one location near Roskilde, Denmark from Feb. 2000 to August 2000. Sampling was done in periods of up to 4 wk using a cooled wet-only sampler. H₂O samples were extracted by solid-phase extraction on Oasis HLB columns. The anal. of the extracts was performed by LC-MS-MS with electrospray ionization. All samples were analyzed in neg. and in pos. ionization mode, resp. for acidic and neutral compounds All analyses were done in the selected reaction monitoring mode to obtain a better signal-to-noise ratio. The method was validated for the following parameters: recovery, detection limit, uncertainty and linearity. Atrazine, terbuthylazine, isoproturon, mechlorprop and (2-methyl-4-chlorophenoxy)acetic acid were measured at concentrations >0.100 μg/l, mainly during the period of agricultural use. Nitrophenols were measured at high concentrations all year with peaks in the cold season (Feb.-Mar.).

Journal of Chromatography A published new progress about 2447-79-2. 2447-79-2 belongs to amides-buliding-blocks, auxiliary class Chloride,Amine,Benzene,Amide, name is 2,4-Dichlorobenzamide, and the molecular formula is C7H5Cl2NO, Recommanded Product: 2,4-Dichlorobenzamide.

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

Guion-Firmin, Julia published the artcileDiarrhea and angiotensin II receptor blockers: Is there any difference between the different drugs?, Synthetic Route of 137862-53-4, the publication is Fundamental & Clinical Pharmacology (2022), 36(2), 443-447, database is CAplus and MEDLINE.

Diarrhea is an adverse drug reaction (ADR) widely reported with olmesartan, an angiotensin II receptor blocker (ARB). Isolated case reports described this ADR with other ARBs. The present study was performed to investigate if, among the different ARBs, some drugs are more at risk of diarrhea than others. Using VigiBase, the WHO pharmacovigilance database, we performed a disproportionality anal. (case/noncase study). Cases were reports with the MedDRA PT term << diarrhea >> and noncases all other reports registered during the same period in Vigibase from Apr. 6, 1995 to Dec. 31, 2020. After comparison of ARBs and angiotensin converting enzyme inhibitors (ACEIs), the main anal. was a comparison of the diarrhea reporting risk between each ARB and the seven other ARBs. Results are reported as reporting odds ratio (ROR) adjusted on age, gender, exposure to antihypertensive, and antidiabetic drugs with their 95% confidence interval. Among the 22,429,334 deduplicated reports registered in VigiBase during the study period, 73,507 involved ARBs, including 2119 diarrhea. The reporting risk of diarrhea was higher with ARBs than with ACEIs (ROR = 2.06 (1.55-2.17)). Diarrhea with ARBs mainly occurred in females with a mean age of 65 years. After exclusion of olmesartan (to minimize a notoriety bias), two ARBs were significantly associated with diarrhea: eprosartan (ROR = 1.93 (1.32-2.72) and telmisartan ROR = 1.41 (1.23-1.62)) but not the six others. The present study found first that diarrhea is more frequently reported with ARBs than with ACEIs and second that the risk of diarrhea differs according to the different ARBs. Diarrhea with ARBs is not a class effect.

Fundamental & Clinical Pharmacology published new progress about 137862-53-4. 137862-53-4 belongs to amides-buliding-blocks, auxiliary class GPCR/G Protein,Angiotensin Receptor, name is (S)-2-(N-((2′-(1H-Tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoic acid, and the molecular formula is C24H29N5O3, Synthetic Route of 137862-53-4.

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

Doshi, Hiren published the artcile6-Tosyl-4,5,6,7-Tetrahydrothieno[2,3-c]Pyridine-3-Carboxamide Analogues: Synthesis, Characterization, MO Calculation, and Antibacterial Activity, Category: amides-buliding-blocks, the publication is Applied Biochemistry and Biotechnology (2015), 175(3), 1700-1709, database is CAplus and MEDLINE.

A series of 6-tosyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide I (R¹ = H, OH; R² = R³ = H, Cl, OCH₃; R⁴ = H, Cl, OCH₃, OH) analogs are synthesized. These are tested for their antibacterial activity against Bacillus subtilis (abbreviated as BS), Staphylococcus aureus (abbreviated as SA), and Escherichia coli (abbreviated as EC). The synthesized compounds are able to inhibit the growth of the SA and EC. None of the compounds are effective against BS. All valence MO (abbreviated as MO) calculations with PM⁶ have been carried out for the mols. for which bioactivity data are available. Ciprofloxacin is taken as the standard antibiotics to compare activity with the mols. synthesized. It has been attempted to correlate the activity of the mols. with their electronic structure.

Applied Biochemistry and Biotechnology published new progress about 15029-36-4. 15029-36-4 belongs to amides-buliding-blocks, auxiliary class Nitrile,Amine,Aliphatic hydrocarbon chain,Amide, name is 2-Cyano-N-ethylacetamide, and the molecular formula is C5H8N2O, Category: amides-buliding-blocks.

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

Dash, Sibananda G. published the artcileComputational Screening of Multicomponent Solid Forms of 2-Aryl-Propionate Class of NSAID, Zaltoprofen, and Their Experimental Validation, Computed Properties of 1453-82-3, the publication is Crystal Growth & Design (2021), 21(1), 449-461, database is CAplus.

A rational coformer screening methodol. was adopted to identify new multicomponent solid preformulations of the 2-aryl propionate class of nonsteroidal anti-inflammatory drugs. The coformer screening was performed using a modified mol. electrostatic potential based site-pair interaction energy computations used in conjunction with the free energy of cocrystal formation calculations to attain better predictability. The computational results were validated against the available exptl. data and used for optimizing the cocrystal screening methodol. for the drug zaltoprofen. A new polymorph and three new cocrystal forms of zaltoprofen were reported in the study, which exhibits up to four times enhancement in the drug solubility than that of the marketed form. We also report one new salt and two new cocrystals of (+)-ibuprofen, a drug from the same 2-aryl propionate family. In hindsight, we propose incorporating secondary heteromeric interactions formed by homo/heterodimer in the calculations of site-pair interaction energy differences for improving the predictability of the mol. electrostatic potential (MESP) based screening. A combined coformer screening strategy utilizing an MESP site-pair interaction energy and the free energy of cocrystal formation calculations helped to develop several novel multicomponent solids of zaltoprofen.

Crystal Growth & Design published new progress about 1453-82-3. 1453-82-3 belongs to amides-buliding-blocks, auxiliary class Pyridine,Amine,Amide, name is Isonicotinamide, and the molecular formula is C6H6N2O, Computed Properties of 1453-82-3.

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

Unterhalt, B. published the artcileNitramines; IX. Acylnitramines, SDS of cas: 15029-36-4, the publication is Synthesis (1976), 241-2, database is CAplus.

Acylnitramines RCONMeNO2 (R = Me, Ph, PhCH2, 4-O2NC6H4, etc.) were prepared in 39-64% yield by the reaction of O2NNNaMe with RCOCl in anhydrous MeCN containing K2CO3. RCONR1NO2 [R = H, Me, NCCH2, O2NC6H4, (O2N)2C6H3, etc.; R1 = Me, Et) were prepared in 36-96% yield by the nitration of RCONHR1 with N2O5 in anhydrous HCCl3 at -60°.

Synthesis published new progress about 15029-36-4. 15029-36-4 belongs to amides-buliding-blocks, auxiliary class Nitrile,Amine,Aliphatic hydrocarbon chain,Amide, name is 2-Cyano-N-ethylacetamide, and the molecular formula is C27H39ClN2, SDS of cas: 15029-36-4.

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

Liu, Bin published the artcileMechanistic Investigation on Oxidative Degradation of ROS-Responsive Thioacetal/Thioketal Moieties and Their Implications, Product Details of C4H6F3NOS, the publication is Cell Reports Physical Science (2020), 1(12), 100271, database is CAplus.

In this work, through a series of structure-property relationship studies such as Hammett correlation, a mechanism of the oxidative cleavage of thioacetals and thioketals, where the thiolate components were converted to the corresponding disulfide product along with the formation of the resp. aldehydes and ketones, is proposed. The mechanism involves thioether oxidation that leads to the formation of a thionium intermediate, hydrolysis of which leads to the aldehyde/ketone product. In addition, a preliminary demonstration of the utility of such an understanding, as it offers the sequential release of two distinct small mols. caged in a substrate using two contradictory stimuli, viz. oxidative and reductive conditions, is presented.

Cell Reports Physical Science published new progress about 1869-45-0. 1869-45-0 belongs to amides-buliding-blocks, auxiliary class Trifluoromethylated Building Blocks, name is 2,2,2-Trifluoro-N-(2-mercaptoethyl)acetamide, and the molecular formula is C4H6F3NOS, Product Details of C4H6F3NOS.

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

Xue, Xuan published the artcileUpper critical solution temperature thermo-responsive polymer brushes and a mechanism for controlled cell attachment, COA of Formula: C5H8N2O2, the publication is Journal of Materials Chemistry B: Materials for Biology and Medicine (2017), 5(25), 4926-4933, database is CAplus and MEDLINE.

We report the synthesis of thermo-responsive polymer brushes with Upper Critical Solution Temperature (UCST)-type behavior on glass to provide a new means to control cell attachment. Thermoresponsive poly(N-acryloyl glycinamide)-stat-poly(N-phenylacrylamide) (PNAGAm-PNPhAm) brushes with three different monomer ratios were synthesized to give tunable phase transition temperatures (T_p) in solution Surface energies of surface-grafted brushes of these polymers at 25, 32, 37 and 50 °C were calculated from contact angle measurements and at. force microscopy (AFM) studies confirmed that these polymers were highly extended at temperatures close to T_p in physiol.-relevant media. Importantly, NIH-3T3 cells were attached on the collapsed PNAGAm-PNPhAm brush surface at 30 °C after 20 h incubation, while release of cells from the extended brushes was observed within 2 h after the culture temperature was switched to 37 °C. Furthermore, the changes in cell attachment followed changes in the Lewis base component of surface energy. The results indicate that, in contrast to the established paradigm of enhanced cell attachment to surfaces where polymers are above a Lower Critical Solution Temperature (LCST), these novel substrates enable detachment of cells from surfaces at temperatures above a UCST. In turn these responsive materials open new avenues for the use of polymer-modified surfaces to control cell attachment for applications in cell manufacture and regenerative medicine.

Journal of Materials Chemistry B: Materials for Biology and Medicine published new progress about 2479-62-1. 2479-62-1 belongs to amides-buliding-blocks, auxiliary class Monomers,Acrylamide Monomers, name is N-(2-Amino-2-oxoethyl)acrylamide, and the molecular formula is C7H13NO2, COA of Formula: C5H8N2O2.

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

Pooventhiran, T. published the artcileHydrogen bonds between valsartan and solvents (water and methanol): Evidences for solvation dynamics using local energy decomposition and abinitio molecular dynamics analysis, Application of (S)-2-(N-((2′-(1H-Tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoic acid, the publication is Journal of Molecular Liquids (2022), 118856, database is CAplus.

The change in Gibbs energy when an ion or mol. moves from a vacuum to a solvent is known as solvation energy and solvation is the process of attracting and associating mols. of a solvent with mols. or ions of a solute. Valsartan belongs to the class of drugs known as angiotensin II inhibitors. It is primarily used to treat excessive blood pressure, congestive heart failure and improve the odds of living longer after a heart attack. The main aim of this paper is to study how solvent mols. like water and methanol interact with valsartan. The systems are optimized using the level DFT/B3LYP cc-pVDZ and this geometry was used for Natural bond orbital (NBO), bin-covalent interactions (NCI), and wavefunction assay. PBE0-D3/def2-TZVP is used to perform abinitio mol. dynamics (AIMD) simulations and DLPNO-CCSD(T) for Local Energy Decomposition (LED). Valsartan can produce five fragments: biphenylmethane-, Bu, isopropyl-, N-acyl-Nmethylglycine- and tetrazole, and bond energy (change in enthalpy) is 2451.11 kcal/mol. NBO shown orbital energies of valsartan in a vacuum and its complexes are in order of oxygen electron pairs is valsartan-water > valsartan-methanol > valsartan; similarly, nitrogen electron pairs valsartan-methanol > valsartan > valsartan-water and carbon electron pairs valsartan-water = valsartan-methanol > valsartan. NCI explains the noncovalent interactions of valsartan in vacuum and valsartan with water and methanol (complex) mols.; inter and intra interactions of them. Binding energies of interactions and total binding energies indicated that valsartan-water is of lower energy with more stability than valsartan-methanol is higher energy with less stable. AIMD of valsartan-water is greater simulations and valsartan-methanol is poor simulations between them.

Journal of Molecular Liquids published new progress about 137862-53-4. 137862-53-4 belongs to amides-buliding-blocks, auxiliary class GPCR/G Protein,Angiotensin Receptor, name is (S)-2-(N-((2′-(1H-Tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoic acid, and the molecular formula is C24H29N5O3, Application of (S)-2-(N-((2′-(1H-Tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoic acid.

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

Wan, Wei-Lin published the artcilePhotosynthesis-inspired H₂ generation using a chlorophyll-loaded liposomal nanoplatform to detect and scavenge excess ROS, Computed Properties of 1869-45-0, the publication is Nature Communications (2020), 11(1), 534, database is CAplus and MEDLINE.

A disturbance of reactive oxygen species (ROS) homeostasis may cause the pathogenesis of many diseases. Inspired by natural photosynthesis, this work proposes a photo-driven H₂-evolving liposomal nanoplatform (Lip NP) that comprises an upconversion nanoparticle (UCNP) that is conjugated with gold nanoparticles (AuNPs) via a ROS-responsive linker, which is encapsulated inside the liposomal system in which the lipid bilayer embeds chlorophyll a (Chla). The UCNP functions as a transducer, converting NIR light into upconversion luminescence for simultaneous imaging and therapy in situ. Functioning as light-harvesting antennas, AuNPs are used to detect the local concentration of ROS for FRET biosensing, while the Chla activates the photosynthesis of H₂ gas to scavenge local excess ROS. The results thus obtained indicate the potential of using the Lip NPs in the anal. of biol. tissues, restoring their ROS homeostasis, possibly preventing the initiation and progression of diseases.

Nature Communications published new progress about 1869-45-0. 1869-45-0 belongs to amides-buliding-blocks, auxiliary class Trifluoromethylated Building Blocks, name is 2,2,2-Trifluoro-N-(2-mercaptoethyl)acetamide, and the molecular formula is C12H15NO4, Computed Properties of 1869-45-0.

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

Medina, Jesus R. published the artcileCell-Based Drug Discovery: Identification and Optimization of Small Molecules that Reduce c-MYC Protein Levels in Cells, Quality Control of 475216-25-2, the publication is Journal of Medicinal Chemistry (2021), 64(21), 16056-16087, database is CAplus and MEDLINE.

Elevated expression of the c-MYC oncogene is one of the most common abnormalities in human cancers. Unfortunately, efforts to identify pharmacol. inhibitors that directly target MYC have not yet yielded a drug-like mol. due to the lack of any known small mol. binding pocket in the protein, which could be exploited to disrupt MYC function. We have recently described a strategy to target MYC indirectly, where a screening effort designed to identify compounds that can rapidly decrease endogenous c-MYC protein levels in a MYC-amplified cell line led to the discovery of a compound series that phenocopies c-MYC knockdown by siRNA. Herein, we describe our medicinal chem. program that led to the discovery of potent, orally bioavailable c-MYC-reducing compounds The development of a min. pharmacophore model based on empirical structure activity relationship as well as the property-based approach used to modulate pharmacokinetics properties will be highlighted.

Journal of Medicinal Chemistry published new progress about 475216-25-2. 475216-25-2 belongs to amides-buliding-blocks, auxiliary class Fluoride,Nitro Compound,Amine,Benzene,Amide,Benzene Compounds, name is 4-Fluoro-N-methyl-3-nitrobenzamide, and the molecular formula is C8H7FN2O3, Quality Control of 475216-25-2.

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