Month: November 2022

Ok, Tae-Dong published the artcileGNA/aegPNA Chimera Loaded with RNA Binding Preference, COA of Formula: C40H35N7O8, the publication is Chemistry – An Asian Journal (2011), 6(8), 1996-1999, database is CAplus and MEDLINE.

The authors have found a very simple strategy to improve binding preference of aegPNA [aeg = N-(2-aminoethyl)glycine] to RNA/DNA. Inspired by the structure of the GNA (glycol nucleic acid) monomer, a highly simple chiral PNA monomer was designed. By incorporating a few chiral acyclic γ-amino acid mols. into the achiral aegPNA backbone, the authors were able to make a chimeric PNA (chiPNA) with better RNA selectivity as well as antiparallel selectivity. The authors feel, to the best of their knowledge, this is the simplest monomeric unit that induces aegPNA to discriminate between RNA and DNA. Finally, the authors demonstrate that the chip-based competition-binding assay is an alternative tool to the quant. anal. of binding selectivities of modified PNAs. The authors believe that chiPNAs will expand the utility of PNAs and find diverse applications related to RNA targets in the future.

Chemistry – An Asian Journal published new progress about 186046-83-3. 186046-83-3 belongs to amides-buliding-blocks, auxiliary class Purine,Carboxylic acid,Amine,Benzene,Amide,Others,PNA,, name is 2-(N-(2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)ethyl)-2-(2-(((benzhydryloxy)carbonyl)amino)-6-oxo-5H-purin-9(6H)-yl)acetamido)acetic acid, and the molecular formula is C40H35N7O8, COA of Formula: C40H35N7O8.

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

Oh, Ji-Hye published the artcileThe benefits of the earlier use of sacubitril/valsartan in de novo heart failure with reduced ejection fraction patients., Recommanded Product: (S)-2-(N-((2′-(1H-Tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoic acid, the publication is ESC heart failure (2022), 9(4), 2435-2444, database is MEDLINE.

AIMS: We evaluated the clinical outcomes and trajectory of cardiac reverse remodelling according to the timing of sacubitril/valsartan (Sac/Val) use in patients with heart failure (HF) with reduced ejection fraction (HFrEF). METHODS AND RESULTS: Patients with de novo HFrEF who used Sac/Val between June 2017 and October 2019 were retrospectively enrolled. Patients were grouped into the earlier use group (initiation of Sac/Val < 3 months after the first HFrEF diagnosis) and the later use group (initiation of Sac/Val ≥ 3 months after the first HFrEF diagnosis). Primary outcome was a composite of HF hospitalization and cardiac death. Secondary outcomes were HF hospitalization, cardiac death, all-cause death, significant ventricular arrhythmia (ventricular tachycardia or ventricular fibrillation), and echocardiographic evidence of cardiac reverse remodelling including left ventricular ejection fraction (LVEF) change during follow-up. Among 115 enrolled patients, 67 were classified in the earlier use group, and 48 were classified in the later use group. Mean period of HFrEF diagnosis to Sac/Val use was 52.1 ± 14.3 days in the earlier use group, and 201.8 ± 127.3 days in the later use group. During the median follow-up of 721 days, primary outcome occurred in 21 patients (18.3%). The earlier use group experienced significantly fewer primary outcome than the later use group (10.4% vs. 29.2%, P = 0.010). The Kaplan-Meier survival curve showed better event-free survival in the earlier use group than in the later use group (log rank = 0.017). There were no significant differences in cardiac death, all-cause death, and ventricular arrhythmia between two groups (1.5% vs. 2.1%, P = 0.811; 1.5% vs. 4.2%, P = 0.375; 3.0% vs. 0%, P = 0.227, respectively). Despite a significantly lower baseline LVEF in the earlier use group (21.3 ± 6.4% vs. 24.8 ± 7.9%, P = 0.012), an early prominent increase of LVEF was noted before 6 months (35.2 ± 11.9% vs. 27.8 ± 8.8%, P = 0.007). A delayed improvement of LVEF in the later use group resulted in similar LVEF at last follow-up in both groups (40.7 ± 13.4% vs. 39.4 ± 10.9%, P = 0.686). Although the trajectory of left ventricular remodelling showed similar pattern in two groups, left atrial (LA) reverse remodelling was less prominent in the later use group during the follow-up period (final LA volume index: 43.6 ± 14.3 mL/m² vs. 55.2 ± 17.1 mL/m² , P = 0.011). CONCLUSIONS: Earlier use of Sac/Val was related with better clinical outcome and earlier left ventricular reverse remodelling. Remodelling of LA was less prominent in the later use group implying delayed response in diastolic function.

ESC heart failure 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, Recommanded Product: (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

Kim, Paul published the artcileA study to discover novel pharmaceutical cocrystals of pelubiprofen with a machine learning approach compared, Name: Isonicotinamide, the publication is CrystEngComm (2022), 24(21), 3938-3952, database is CAplus.

Pelubiprofen (PF), a biopharmaceutical classification system (BCS) class II non-steroidal anti-inflammatory drug, has been on the market only in its crystalline form. To discover the first cocrystal form(s) of the drug, artificial neural network (ANN) modeling and the pKa rule were adopted to predict the most probable coformers that could form cocrystals with PF. Among candidate mols. examined theor. and exptl., isonicotinamide (INA) and nicotinamide (NCA) formed PF-based cocrystals through evaporative crystallization The structures of the PF-INA and PF-NCA cocrystals were verified through multiple characterization techniques, including single-crystal X-ray diffraction. These two cocrystals demonstrated remarkably better water solubility and dissolution behaviors than did pure PF in both acidic and neutral solutions Even with deficiency in the prediction capability, the combination of machine learning-based and knowledge-based coformer screening and the subsequent synthetic experiments would be a potential approach for discovering novel pharmaceutical cocrystals in the future.

CrystEngComm 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, Name: Isonicotinamide.

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

McCutcheon, David C. published the artcilePhotoproximity Profiling of Protein-Protein Interactions in Cells, Recommanded Product: H-Lys(Boc)-OH, the publication is Journal of the American Chemical Society (2020), 142(1), 146-153, database is CAplus and MEDLINE.

We report a novel photoproximity protein interaction (PhotoPPI) profiling method to map protein-protein interactions in vitro and in live cells. This approach utilizes a bioorthogonal, multifunctional chem. probe that can be targeted to a genetically encoded protein of interest (POI) through a modular SNAP-Tag/benzylguanine covalent interaction. A first generation photoproximity probe, PP1, responds to 365 nm light to simultaneously cleave a central nitroveratryl linker and a peripheral diazirine group, resulting in diffusion of a highly reactive carbene nucleophile away from the POI. We demonstrate facile probe loading, and subsequent interaction- and light-dependent proximal labeling of a model protein-protein interaction (PPI) in vitro. Integration of the PhotoPPI workflow with quant. LC-MS/MS enabled unbiased interaction mapping for the redox regulated sensor protein, KEAP1, for the first time in live cells. We validated known and novel interactions between KEAP1 and the proteins PGAM5 and HK2, among others, under basal cellular conditions. By contrast, comparison of PhotoPPI profiles in cells experiencing metabolic or redox stress confirmed that KEAP1 sheds many basal interactions and becomes associated with known lysosomal trafficking and proteolytic proteins like SQSTM1, CTSD, and LGMN. Together, these data establish PhotoPPI as a method capable of tracking the dynamic subcellular and protein interaction “social network” of a redox-sensitive protein in cells with high temporal resolution

Journal of the American Chemical Society published new progress about 2418-95-3. 2418-95-3 belongs to amides-buliding-blocks, auxiliary class Chiral,Carboxylic acid,Amine,Aliphatic hydrocarbon chain,Ester,Amino acide derivatives, name is H-Lys(Boc)-OH, and the molecular formula is C11H22N2O4, Recommanded Product: H-Lys(Boc)-OH.

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

Yang, Tsun-Yu published the artcileAnemia warrants treatment to improve survival in patients with heart failure receiving sacubitril-valsartan, COA of Formula: C24H29N5O3, the publication is Scientific Reports (2022), 12(1), 8186, database is CAplus and MEDLINE.

Abstract: Angiotensin inhibition remains a cornerstone for pharmacol. management of heart failure (HF), despite being associated with decreased Hb (Hb) levels. To investigate the effect of anemia and its treatment on patients with HF treated with sacubitril-valsartan (S/V), we conducted a retrospective study involving patients with recorded left ventricular ejection fractions (LVEFs) of < 40% between Jan. 2017 and Dec. 2019. We identified 677 patients, 37.7% of whom received S/V. The median follow-up period was 868 days. Anemia was associated with significantly decreased survival, increased mortality rates, and higher all-cause hospitalizations in S/V-using patients. We further analyzed 236 patients with HF who had recorded renal function, LVEF, and Hb at the initiation of S/V therapy to identify Hb patterns after S/V therapy. Of these patients, 35.6% exhibited decreasing Hb 12 mo after S/V initiation, which was associated with a lower survival rate. Among the patients who were not prescribed anemia medications, Hb of ≥ 12 (vs. < 12 g/dL) was associated with a higher survival rate; this association was absent among the patients undergoing anemia treatment. These results emphasize that consistent screening and treatment for anemia should be implemented to reduce the morbidity and mortality of patients with HF receiving S/V.

Scientific Reports 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 C10H16O2, COA of Formula: C24H29N5O3.

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

Matulenko, Mark A. published the artcile5-(3-Bromophenyl)-7-(6-morpholin-4-ylpyridin-3-yl)pyrido[2,3-d]pyrimidin-4-ylamine: structure-activity relationships of 7-substituted heteroaryl analogs as non-nucleoside adenosine kinase inhibitors, HPLC of Formula: 14294-10-1, the publication is Bioorganic & Medicinal Chemistry (2005), 13(11), 3705-3720, database is CAplus and MEDLINE.

4-Amino-5,7-disubstituted pyridopyrimidines are potent, non-nucleoside inhibitors of adenosine kinase (AK). The authors recently identified a potent, orally efficacious analog I containing a 7-pyridylmorpholine substituted ring system as the key structural element of this template. The pharmacol. effects of five- and six-membered heterocyclic ring replacements for the pyridine ring in I are reported. These replacements were found to have interesting effects on in vivo efficacy and genotoxicity as well as in vitro potency. The authors discovered that the nitrogen in the heterocyclic ring at C(7) is important for the modulation of mutagenic side effects (Ames assay).

Bioorganic & Medicinal Chemistry published new progress about 14294-10-1. 14294-10-1 belongs to amides-buliding-blocks, auxiliary class Morpholine,Thiourea,Amine,Amide, name is Morpholine-4-carbothioamide, and the molecular formula is C5H10N2OS, HPLC of Formula: 14294-10-1.

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

Waisser, Karel published the artcileRemarks on the calculation of partition coefficients of thiobenzamides using the microsoft chembioofice program, Safety of 3-Methoxybenzothioamide, the publication is Folia Pharmaceutica Universitatis Carolinae (2013), 7-9, database is CAplus.

The study examined the lipophilicity of thiobenzamides investigated as potential antituberculotics. Logarithms of partition coefficients were calculated using the ChemBioOffice 2008 program (Microsoft) and the values verified by partition TLC. The derivatives with substituents in position 2 correlated worse than other substituted derivatives The paper shows that the program Microsoft ChemBioOffice which is used at the Faculty of Pharmacy is problematic.

Folia Pharmaceutica Universitatis Carolinae 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 C15H14Cl2S2, Safety of 3-Methoxybenzothioamide.

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

Bogdanovic, Aleksandra published the artcileCharacterisation of twelve newly synthesised N-(substituted phenyl)-2-chloroacetamides with QSAR analysis and antimicrobial activity tests, Safety of 2-Chloroacetamide, the publication is Arhiv za Higijenu Rada i Toksikologiju (2021), 72(1), 70-79, database is CAplus and MEDLINE.

In this study we screened twelve newly synthesized N-(substituted phenyl)-2-chloroacetamides for antimicrobial potential relying on quant. structure-activity relationship (QSAR) anal. based on the available cheminformatics prediction models (Molinspiration, SwissADME, PreADMET, and PkcSM) and verified it through standard antimicrobial testing against Escherichia coli, Staphylococcus aureus, methicillin-resistant S. aureus (MRSA), and Candida albicans. Our compounds met all the screening criteria of Lipinski’s rule of five (Ro5) as well as Veber’s and Egan’s methods for predicting biol. activity. In antimicrobial activity tests, all chloroacetamides were effective against Gram-pos. S. aureus and MRSA, less effective against the Gram-neg. E. coli, and moderately effective against the yeast C. albicans. Our study confirmed that the biol. activity of chloroacetamides varied with the position of substituents bound to the Ph ring, which explains why some mols. were more effective against Gram-neg. than Gram-pos. bacteria or C. albicans. Bearing the halogenated p-substituted Ph ring, N-(4-chlorophenyl), N-(4-fluorophenyl), and N-(3-bromophenyl) chloroacetamides were among the most active thanks to high lipophilicity, which allows them to pass rapidly through the phospholipid bilayer of the cell membrane. They are the most promising compounds for further investigation, particularly against Gram-pos. bacteria and pathogenic yeasts.

Arhiv za Higijenu Rada i Toksikologiju 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, Safety of 2-Chloroacetamide.

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

Vantourout, Julien C. published the artcileChan-Evans-Lam Amination of Boronic Acid Pinacol (BPin) Esters: Overcoming the Aryl Amine Problem, Category: amides-buliding-blocks, the publication is Journal of Organic Chemistry (2016), 81(9), 3942-3950, database is CAplus and MEDLINE.

The Chan-Evans-Lam reaction is a valuable C-N bond forming process. However, aryl boronic acid pinacol (BPin) ester reagents can be difficult coupling partners that often deliver low yields, in particular in reactions with aryl amines. Herein, we report effective reaction conditions for the Chan-Evans-Lam amination of aryl BPin with alkyl and aryl amines. A mixed MeCN/EtOH solvent system was found to enable effective C-N bond formation using aryl amines while EtOH is not required for the coupling of alkyl amines.

Journal of Organic Chemistry published new progress about 1197171-76-8. 1197171-76-8 belongs to amides-buliding-blocks, auxiliary class Boronic acid and ester,Amine,Benzene,Amide,Boronate Esters,Boronic Acids,Boronic acid and ester,, name is N-Methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide, and the molecular formula is C15H21BO2, Category: amides-buliding-blocks.

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

Alessi, Manlio published the artcileDirected ortho Metalation-Boronation and Suzuki-Miyaura Cross Coupling of Pyridine Derivatives: A One-Pot Protocol to Substituted Azabiaryls, HPLC of Formula: 530-40-5, the publication is Journal of Organic Chemistry (2007), 72(5), 1588-1594, database is CAplus and MEDLINE.

A general method for the regioselective synthesis of aryl-substituted pyridines by a one-pot procedure involving a Directed ortho-metalation-boronation-Suzuki-Miyaura cross-coupling sequence is described. Aside from the three isomeric pyridinecarboxamides, chloro-, fluoro-, and O-carbamoyl pyridines are adapted to this method providing a range of disubstituted pyridines. The one-pot procedure allows to avoid the recognized difficult isolation of pyridylboronic acids and their instability toward deboronation. The efficient synthesis of 5-(un)substituted N,N-diethyl-3-hydroxy-2-pyridinecarboxamides by a one-pot metalation-boronation-oxidation sequence using LDA-B(OCHMe₂)₃ and avoiding self-condensation of incipient ortho-metalated species is also described. Some of aryl-substituted pyridinecarboxamides were converted into azafluorenones by a directed remote metalation protocol. A comprehensive survey of pyridylboronates, which are of considerable interest in contemporary heterocyclic synthetic chem., is also provided.

Journal of Organic Chemistry published new progress about 530-40-5. 530-40-5 belongs to amides-buliding-blocks, auxiliary class Pyridine,Amine,Amide, name is N,N-Diethylisonicotinamide, and the molecular formula is C10H14N2O, HPLC of Formula: 530-40-5.

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