Category: amides-buliding-blocks

Dybeck, Eric C.; McMahon, David P.; Day, Graeme M.; Shirts, Michael R. published the artcile< Exploring the Multi-minima Behavior of Small Molecule Crystal Polymorphs at Finite Temperature>, Recommanded Product: 4-Chloro-N-(propylcarbamoyl)benzenesulfonamide, the main research area is crystal structure prediction polymorphism packing mol crystal polymorphs.

The predicted ambient-temperature crystal structures of organic small mols. are often represented by a single energy-minimized configuration at zero Kelvin. This procedure effectively collapses the ensemble of configurations that would be present at ambient temperature into a single representative structure. This simplification is likely to break down if the crystal structure has multiple different lattice-energy min. within the ambient temperature ensemble. In this paper, we explore the existence of multiple min. within finite-temperature crystal basins by sampling crystals at a range of temperatures followed by rapidly quenching the configurations. We then observe whether each crystal returns to the original min. or to an ensemble of min. on the lattice-energy landscape. Eight of the twelve compounds examined in this work have at least one polymorph with multi-min. behavior. These multi-min. basins have implications for crystal structure prediction studies, and it is therefore important to understand the factors that lead a crystal structure to have multiple min. We find that, in general, the existence of multiple min. within a crystal basin is more likely for the compounds that are larger and have more flexibility. We find that the number of min. found tends to increase with the sampling temperature, and the lattice energy of min. found from the same finite-temperature trajectory can vary by >2.0 kJ/mol. Finally, we show that the lattice energy min. contained within a single ambient temperature basin can have different space groups and numbers of mols. in the asym. unit. Overall, the data suggests that many exptl. crystal polymorphs are likely to have multi-min. behavior and are best described by an ensemble of structures encompassing many min. rather than by a single lattice-energy min.

Crystal Growth & Design published new progress about Configuration. 94-20-2 belongs to class amides-buliding-blocks, and the molecular formula is C10H13ClN2O3S, Recommanded Product: 4-Chloro-N-(propylcarbamoyl)benzenesulfonamide.

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

Park, Heejun; Nie, Haichen; Dhiman, Abhijeet; Tomar, Vikas; Zhou, Qi Tony published the artcile< Understanding Dynamics of Polymorphic Conversion during the Tableting Process Using In Situ Mechanical Raman Spectroscopy>, Computed Properties of 94-20-2, the main research area is chlorpropamide polymorphism interconversion tableting Raman spectroscopy tableting deformation; chlorpropamide; deformation; in situ mechanical Raman spectroscopy; polymorphic interconversion; tableting.

The objective of this study is to achieve a fundamental understanding of polymorphic interconversion during the tableting process, including during compaction, dwell, decompression/unloading, and ejection using an in situ mech. Raman spectroscopy. The fit-for-purpose in situ mech. Raman spectroscopy developed herein can provide simultaneous measurement of Raman spectra and densification for the powder compacts. Chlorpropamide (CPA), an antidiabetic drug, was selected as a model pharmaceutical compound because of its mech. shear-induced polymorphic conversions. The results confirm that CPA polymorph A (CPA-A) was transformed to CPA polymorph C (CPA-C) under different compaction stresses. We also observed that the converted polymorph CPA-C could be reverted to the CPA-A due to the elastic recovery of powder compacts as detected during dwelling and unloading. This study is the first depiction of the dynamics of CPA polymorphic interconversion during compression, dwell, unloading, and ejection. Mechanistically, this study illustrates a correlation between the change in the powder compact’s relative d. and polymorphic interconversion of the drug substance in different solid-state forms. The present research suggests that the process-induced polymorph conversion is a complicated dynamic process, which could be affected by the compaction pressure, the elasticity/plasticity of the material, the level of elastic recovery, and the dissipation of residual stress. In summary, this study demonstrates that the in situ mech. Raman spectroscopy approach enables the simultaneous detection of mech. and chem. information of the powder compact throughout the tableting process.

Molecular Pharmaceutics published new progress about Binary systems. 94-20-2 belongs to class amides-buliding-blocks, and the molecular formula is C10H13ClN2O3S, Computed Properties of 94-20-2.

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

Markushyna, Yevheniia; Schuesslbauer, Christoph M.; Ullrich, Tobias; Guldi, Dirk M.; Antonietti, Markus; Savateev, Aleksandr published the artcile< Chromoselective Synthesis of Sulfonyl Chlorides and Sulfonamides with Potassium Poly(heptazine imide) Photocatalyst>, Related Products of 6961-82-6, the main research area is chromoselective synthesis sulfonyl chloride sulfonamide potassium polyheptazine imide photocatalyst; carbon nitride; chromoselective catalysis; organic synthesis; photoredox catalysis; sulfonyl chloride.

Among external stimuli used to promote a chem. reaction, photocatalysis possesses a unique one-light. Photons are traceless reagents that provide an exclusive opportunity to alter chemoselectivity of the photocatalytic reaction varying the color of incident light. This strategy may be implemented by using a sensitizer capable to activate a specific reaction pathway depending on the excitation light. Herein, we use potassium poly(heptazine imide) (K-PHI), a type of carbon nitride, to generate selectively three different products from S-arylthioacetates simply varying the excitation light and otherwise identical conditions. Namely, arylchlorides are produced under UV/purple, sulfonyl chlorides with blue/white, and diaryl disulfides at green to red light (e.g., S-Ph thioacetate → benzenesulfonyl chloride (93%) under blue light irradiation using HCl in water/MeCN and O2 as electron acceptor). A combination of the neg. charged polyanion, highly pos. potential of the valence band, presence of intraband states, ability to sensitize singlet oxygen, and multi-electron transfer is shown to enable this chromoselective conversion of thioacetates.

Angewandte Chemie, International Edition published new progress about Arenesulfonyl chlorides Role: SPN (Synthetic Preparation), PREP (Preparation). 6961-82-6 belongs to class amides-buliding-blocks, and the molecular formula is C6H6ClNO2S, Related Products of 6961-82-6.

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

Sawami, Kosuke; Tanaka, Atsushi; Node, Koichi published the artcile< Anti-obesity therapy for cardiovascular disease prevention: potential expected roles of glucagon-like peptide-1 receptor agonists.>, Recommanded Product: (S)-(S)-1-((2S,3S)-3-Hexyl-4-oxooxetan-2-yl)tridecan-2-yl 2-formamido-4-methylpentanoate, the main research area is Anti-obesity; Glucagon-like peptide-1 receptor agonists; Liraglutide; Obesity-related cardiovascular disease; Semaglutide.

Obesity is characterized by visceral fat accumulation and various metabolic disturbances that cause metabolic syndrome and obesity-related cardiovascular diseases (ORCVDs). Hence, treatments targeting obesity should also prevent ORCVDs. Nonetheless, lifestyle modification therapy alone is still insufficient to reduce the risk of ORCVDs, although most cardiovascular guidelines still list it as the only treatment for obesity. Additionally, conventional anti-obesity drugs, such as orlistat, phentermine-topiramate, and naltrexone-bupropion, can reduce body weight but have not demonstrated a clear reduction in the risk of ORCVDs. To overcome this unmet clinical need, newer anti-obesity drugs must exhibit not only sufficient and long-lasting weight loss but also obvious cardiovascular benefits. Given recent clinical findings and evidences, in this context glucagon-like peptide-1 receptor agonist is currently available as a candidate that is clinically positioned as a first-line anti-obesity agent for the effective prevention of ORCVDs in people with obesity.

Cardiovascular diabetology published new progress about 96829-58-2. 96829-58-2 belongs to class amides-buliding-blocks, and the molecular formula is C29H53NO5, Recommanded Product: (S)-(S)-1-((2S,3S)-3-Hexyl-4-oxooxetan-2-yl)tridecan-2-yl 2-formamido-4-methylpentanoate.

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

Knoke, Sabrina; Bunjes, Heike published the artcile< Transfer investigations of lipophilic drugs from lipid nanoemulsions to lipophilic acceptors: contributing effects of cholesteryl esters and albumin as acceptor structures>, Safety of (S)-(S)-1-((2S,3S)-3-Hexyl-4-oxooxetan-2-yl)tridecan-2-yl 2-formamido-4-methylpentanoate, the main research area is lipophilic drug acceptor lipid nanoemulsion cholesteryl ester albumin; bovine serum albumin; cholesteryl nonanoate; colloidal drug carriers; drug transfer; hydrogel beads; in vitro release; lipid nanoparticles.

When studying the release of poorly water-soluble drugs from colloidal drug delivery systems designed for i.v. administration, the release media should preferentially contain lipophilic components that represent the physiol. acceptors present in vivo. In this study, the effect of different acceptor structures was investigated by comparing the transfer of fenofibrate, retinyl acetate, and orlistat from trimyristin nanoemulsion droplets into lipid-containing hydrogel particles, as well as to bovine serum albumin (BSA). A nanodispersion based on trimyristin and cholesteryl nonanoate was incorporated into the hydrogel particles (mean diameter ~40μm) in order to mimic the composition of lipoproteins. The course of transfer observed utilizing the lipid-containing hydrogel particles as an acceptor was in relation to the lipophilicity of the drugs: the higher the logP value, the slower the transfer. There was no detectable amount of the drugs transferred to BSA in liquid solution, demonstrating clearly that albumin alone does not contribute substantially as acceptor for the lipophilic drugs under investigation in this study. In contrast, cholesteryl nonanoate contributes to a much greater extent. However, in all cases, the partition equilibrium of the drugs under investigation was in favor of the trimyristin emulsion droplets.

Pharmaceuticals published new progress about Albumins Role: BSU (Biological Study, Unclassified), BIOL (Biological Study). 96829-58-2 belongs to class amides-buliding-blocks, and the molecular formula is C29H53NO5, Safety of (S)-(S)-1-((2S,3S)-3-Hexyl-4-oxooxetan-2-yl)tridecan-2-yl 2-formamido-4-methylpentanoate.

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

Bernier, David; Blake, Alexander J.; Woodward, Simon published the artcile< Improved Procedure for the Synthesis of Enamine N-Oxides>, Product Details of C10H20ClNO, the main research area is dehydrochlorination chloro amine oxide; oxidation chloro amine enamine oxide preparation; chlorination amino alc enamine oxide preparation; aminolysis epoxide enamine oxide preparation; enamine oxide preparation.

An improved procedure for the preparation of enamine N-oxides involving aminolysis of epoxides, chlorination, N-oxidation, and dehydrochlorination is described. Although isolated β-chloroamine N-oxides are prone to rearrangements when isolated, these side reactions can be slowed by the presence of stabilizing organic acids. The scope and limitations of this strategy are discussed.

Journal of Organic Chemistry published new progress about Amine oxides Role: SPN (Synthetic Preparation), PREP (Preparation). 5326-82-9 belongs to class amides-buliding-blocks, and the molecular formula is C10H20ClNO, Product Details of C10H20ClNO.

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

Alcaraz, Lilian; Bennion, Colin; Morris, James; Meghani, Premji; Thom, Stephen M. published the artcile< Novel N-aryl and N-heteroaryl sulfamide synthesis via palladium cross-coupling>, Quality Control of 25999-04-6, the main research area is sulfonamide aryl halide cross coupling palladium phosphine ligand; aryl sulfonamide preparation; phosphine palladium cross coupling catalyst.

An efficient synthesis of N-aryl and N-heteroaryl sulfamides, e.g., I, via an intermol. palladium-catalyzed coupling process has been developed. The reactions proceeded with good to excellent yields and tolerated a wide range of functional groups.

Organic Letters published new progress about Arenesulfonamides Role: SPN (Synthetic Preparation), PREP (Preparation). 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

Fahim, Shahariar Mohammed; Hsu, Chiu-Hsieh; Lin, Fang-Ju; Qian, Jingjing; Chou, Chiahung published the artcile< Association between prior use of anti-diabetic medication and breast cancer stage at diagnosis>, Category: amides-buliding-blocks, the main research area is antidiabetic medication breast cancer association diagnosis; Breast cancer; diabetes; medicare beneficiaries; stage at diagnosis.

Knowledge regarding antidiabetic medication (ADM) use prior to breast cancer (BC) diagnosis remains limited. The objectives were to (1) evaluate if the prior use of ADM was associated with BC stage at diagnosis and (2) identify and compare patient characteristics among BC patients using different ADMs. Newly diagnosed female BC patients exposed to any medication during one year prior to cancer diagnosis were identified in 2008-2013 Linked Surveillance, Epidemiol., and End Results (SEER)-Medicare database. Stage at diagnosis, categorized as early and advanced, was the primary outcome. Chi-square tests were used to compare characteristics and logistic regression models were applied to examine the effect while controlling for patient’s characteristics. A total of 1,719 female BC patients used ADM while 6,084 patients were non-ADM users. Although a higher proportion of ADM users (20.36%) were diagnosed with advanced stage compared to the non-ADM users (14.46%), the difference was not statistically significant after adjusting for the patients’ characteristics. Besides, insulin users were more likely to be diagnosed with advanced stage (adjusted odds ratio 1.69; 95% CI 1.15, 2.48) compared to metformin users. The association between ADM use and BC diagnostic characteristics varied based on different treatments.

Expert Opinion on Drug Safety published new progress about Antidiabetic agents. 94-20-2 belongs to class amides-buliding-blocks, and the molecular formula is C10H13ClN2O3S, Category: amides-buliding-blocks.

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

Baranauskiene, Lina; Skiudaite, Lina; Michailoviene, Vilma; Petrauskas, Vytautas; Matulis, Daumantas published the artcile< Thiazide and other Cl-benzenesulfonamide-bearing clinical drug affinities for human carbonic anhydrases>, Safety of o-Chlorobenzenesulfonamide, the main research area is human carbonic anhydrase chlorine benzenesulfonamide thiazide drug affinity.

Twelve carbonic anhydrase (CA) isoforms catalyze carbon dioxide hydration to bicarbonate and acid protons and are responsible for many biol. functions in human body. Despite their vital functions, they are also responsible for, or implicated in, numerous ailments and diseases such as glaucoma, high altitude sickness, and cancer. Because CA isoforms are highly homologous, clin. drugs designed to inhibit enzymic activity of a particular isoform, can also bind to others with similar affinity causing toxic side effects. In this study, the affinities of twelve CA isoforms have been determined for nineteen clin. used drugs used to treat hypertension related diseases, i.e. thiazides, indapamide, and metolazone. Their affinities were determined using a fluorescent thermal shift assay. Stopped flow assay and isothermal titration calorimetry were also employed on a subset of compounds and proteins to confirm inhibition of CA enzymic activity and verify the quant. agreement between different assays. The findings of this study showed that pharmaceuticals could bind to human CA isoforms with variable affinities and inhibit their catalytic activity, even though the drug was intended to interact with a different (non-CA) protein target. Relatively minor structural changes of the compounds may cause significant changes in affinity and selectivity for a particular CA isoform.

PLoS One published new progress about Antidiuretics. 6961-82-6 belongs to class amides-buliding-blocks, and the molecular formula is C6H6ClNO2S, Safety of o-Chlorobenzenesulfonamide.

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

Roy, Bivas Chandra; Samim, Sk. Abdus; Panja, Dibyajyoti; Kundu, Sabuj published the artcile< Tandem synthesis of quinazolinone scaffolds from 2-aminobenzonitriles using aliphatic alcohol-water system>, COA of Formula: C9H12N2O3, the main research area is aminobenzonitrile aliphatic alc water tandem hydration dehydrogenative coupling; quinazolinone preparation green chem.

Ru(II) complex catalyzed tandem synthesis of quinazolinone derivatives is reported here. In this sustainable protocol, 2-aminobenzonitriles were directly transformed to quinazolinones using alc.-water system. A variety of quinazolinones was successfully synthesized in good to excellent yields by utilizing challenging methanol and aliphatic alcs. The practical applicability of the protocol was extended by preparative scale synthesis of various heterocycles as well as natural products. To understand the mechanism of this protocol, several control experiments and DFT studies were carried out. Based on the DFT calculations, a metal-ligand cooperative mechanism was proposed for this system.

Catalysis Science & Technology published new progress about Aliphatic alcohols Role: NUU (Other Use, Unclassified), PRP (Properties), RCT (Reactant), USES (Uses), RACT (Reactant or Reagent). 5004-88-6 belongs to class amides-buliding-blocks, and the molecular formula is C9H12N2O3, COA of Formula: C9H12N2O3.

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