Orr, David’s team published research in Chemistry – A European Journal in 19 | CAS: 64559-06-4

Chemistry – A European Journal published new progress about 64559-06-4. 64559-06-4 belongs to amides-buliding-blocks, auxiliary class Amine,Benzene,Amide,Ether, name is 3-Methoxybenzothioamide, and the molecular formula is C8H9NOS, Recommanded Product: 3-Methoxybenzothioamide.

Orr, David published the artcileSingle-Step Microwave-Mediated Syntheses of Oxazoles and Thiazoles from 3-Oxetanone: A Synthetic and Computational Study, Recommanded Product: 3-Methoxybenzothioamide, the publication is Chemistry – A European Journal (2013), 19(29), 9655-9662, database is CAplus and MEDLINE.

The direct microwave-mediated condensation between 3-oxetanone and primary amides and thioamides has delivered moderate to good yields of (hydroxymethyl)oxazoles and (hydroxymethyl)thiazoles. The reactions use a sustainable solvent and only require short reaction times. These are highly competitive methods for the construction of two classes of valuable heteroarenes, which bear a useful locus for further elaboration. Electronic structure calculations have shown that the order of events involves chalcogen atom attack at sp3 carbon and alkyl-oxygen cleavage. The critical role of acid catalysis was shown clearly, and the importance of acid strength was demonstrated. The calculated barriers were also fully consistent with the observed order of thioamide and amide reactivity. Spontaneous ring opening involves a modest degree of C-O cleavage, moderating the extent of strain relief. On the acid-catalyzed pathway, C-O cleavage is less extensive still, but proton transfer to the nucleofuge is well advanced with the carboxylic acid catalysts, and essentially complete with methanesulfonic acid.

Chemistry – A European Journal published new progress about 64559-06-4. 64559-06-4 belongs to amides-buliding-blocks, auxiliary class Amine,Benzene,Amide,Ether, name is 3-Methoxybenzothioamide, and the molecular formula is C8H9NOS, Recommanded Product: 3-Methoxybenzothioamide.

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

Walczynski, K.’s team published research in Farmaco in 54 | CAS: 64559-06-4

Farmaco published new progress about 64559-06-4. 64559-06-4 belongs to amides-buliding-blocks, auxiliary class Amine,Benzene,Amide,Ether, name is 3-Methoxybenzothioamide, and the molecular formula is C10H9NO4S, Recommanded Product: 3-Methoxybenzothioamide.

Walczynski, K. published the artcileHistamine H1 receptor ligands. Part I. Novel thiazol-4-ylethanamine derivatives: synthesis and in vitro pharmacology, Recommanded Product: 3-Methoxybenzothioamide, the publication is Farmaco (1999), 54(8), 533-541, database is CAplus and MEDLINE.

A series of 2-substituted thiazol-4-ylethanamines have been synthesized and tested for their histaminergic H1-receptor activities. The compounds with 2-Ph substitution, regardless of the different physicochem. properties of the meta-substituents at the Ph ring, showed weak H1-agonistic activity with pD2 values ranging from 4.35 to 5.36. When the Ph group was replaced by a benzyl group, the resulting compounds all exhibited weak H1-antagonistic activity (pA2: 4.14-4.82).

Farmaco published new progress about 64559-06-4. 64559-06-4 belongs to amides-buliding-blocks, auxiliary class Amine,Benzene,Amide,Ether, name is 3-Methoxybenzothioamide, and the molecular formula is C10H9NO4S, Recommanded Product: 3-Methoxybenzothioamide.

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

Csanyi, D.’s team published research in Synthetic Communications in 29 | CAS: 146140-95-6

Synthetic Communications published new progress about 146140-95-6. 146140-95-6 belongs to amides-buliding-blocks, auxiliary class Boronic acid and ester,Amine,Benzene,Amide,Boronic Acids,Boronic Acids,Boronic acid and ester,, name is (2-Pivalamidophenyl)boronic acid, and the molecular formula is C11H16BNO3, Quality Control of 146140-95-6.

Csanyi, D. published the artcileAn alternative synthesis of quindoline and one of its closely related derivatives, Quality Control of 146140-95-6, the publication is Synthetic Communications (1999), 29(22), 3959-3969, database is CAplus.

The alkaloid quindoline and its tetracyclic isomer indazolo[2,3-a]quinoline have been synthesized utilizing the Pd(0)-catalyzed cross-coupling reaction of pivaloylaminophenylboronic acid with substituted quinolines.

Synthetic Communications published new progress about 146140-95-6. 146140-95-6 belongs to amides-buliding-blocks, auxiliary class Boronic acid and ester,Amine,Benzene,Amide,Boronic Acids,Boronic Acids,Boronic acid and ester,, name is (2-Pivalamidophenyl)boronic acid, and the molecular formula is C11H16BNO3, Quality Control of 146140-95-6.

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

Medina, Jesus R.’s team published research in Journal of Medicinal Chemistry in 64 | CAS: 475216-25-2

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.

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

Wan, Wei-Lin’s team published research in Nature Communications in 11 | CAS: 1869-45-0

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.

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

Pooventhiran, T.’s team published research in Journal of Molecular Liquids in 354 | CAS: 137862-53-4

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.

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

Xue, Xuan’s team published research in Journal of Materials Chemistry B: Materials for Biology and Medicine in 5 | CAS: 2479-62-1

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.

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 (Tp) 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 Tp 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

Liu, Bin’s team published research in Cell Reports Physical Science in 1 | CAS: 1869-45-0

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.

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

Unterhalt, B.’s team published research in Synthesis in | CAS: 15029-36-4

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.

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

Dash, Sibananda G.’s team published research in Crystal Growth & Design in 21 | CAS: 1453-82-3

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.

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