Month: December 2022

Reichstein, Alexandra published the artcileSynthesis and Structure-Activity Relationships of Lapacho Analogues. 1. Suppression of Human Keratinocyte Hyperproliferation by 2-Substituted Naphtho[2,3-b]furan-4,9-diones, Activation by Enzymatic One- and Two-Electron Reduction, and Intracellular Generation of Superoxide, SDS of cas: 360-92-9, the publication is Journal of Medicinal Chemistry (2012), 55(16), 7273-7284, database is CAplus and MEDLINE.

A series of linearly annelated lapacho quinone analogs substituted at the 2-position of the tricyclic naphtho[2,3-b]furan-4,9-dione system were synthesized and evaluated for their ability to suppress keratinocyte hyperproliferation using HaCaT cells as the primary test system. While very good in vitro potency with IC₅₀ values in the submicromolar range was attained with electron-withdrawing substituents, some compounds were found to induce plasma membrane damage, as evidenced by the release of LDH activity from cytoplasm of the keratinocytes. The most potent analog against keratinocyte hyperproliferation was the 1,2,4-oxadiazole I, the potency of which was combined with comparably low cytotoxic membrane damaging effects. Structure-activity relationship studies with either metabolically stable or labile analogs revealed that the quinone moiety was required for activity. Selected compounds were studied in detail for their capability to generate superoxide radicals both in isolated enzymic one- and two-electron reduction assays as well as in a HaCaT cell-based assay.

Journal of Medicinal Chemistry published new progress about 360-92-9. 360-92-9 belongs to amides-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Amine,Aliphatic hydrocarbon chain,Amide, name is N,N-Diethyl-2,2,2-trifluoroacetamide, and the molecular formula is C6H10F3NO, SDS of cas: 360-92-9.

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

Coetzee, Nanika published the artcileEpigenetic inhibitors target multiple stages of Plasmodium falciparum parasites, Safety of 4-(tert-Butyl)-N-((4-(5-(dimethylamino)pentanamido)phenyl)carbamothioyl)benzamide, the publication is Scientific Reports (2020), 10(1), 2355, database is CAplus and MEDLINE.

Abstract: The epigenome of the malaria parasite, Plasmodium falciparum, is associated with regulation of various essential processes in the parasite including control of proliferation during asexual development as well as control of sexual differentiation. The unusual nature of the epigenome has prompted investigations into the potential to target epigenetic modulators with novel chemotypes. Here, we explored the diversity within a library of 95 compounds, active against various epigenetic modifiers in cancerous cells, for activity against multiple stages of P. falciparum development. We show that P. falciparum is differentially susceptible to epigenetic perturbation during both asexual and sexual development, with early stage gametocytes particularly sensitive to epi-drugs targeting both histone and non-histone epigenetic modifiers. Moreover, 5 compounds targeting histone acetylation and methylation show potent multistage activity against asexual parasites, early and late stage gametocytes, with transmission-blocking potential. Overall, these results warrant further examination of the potential antimalarial properties of these hit compounds

Scientific Reports published new progress about 1011557-82-6. 1011557-82-6 belongs to amides-buliding-blocks, auxiliary class Epigenetics,Sirtuin, name is 4-(tert-Butyl)-N-((4-(5-(dimethylamino)pentanamido)phenyl)carbamothioyl)benzamide, and the molecular formula is C25H34N4O2S, Safety of 4-(tert-Butyl)-N-((4-(5-(dimethylamino)pentanamido)phenyl)carbamothioyl)benzamide.

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

Protopopov, Mykola V. published the artcileIdentification of 1,3-thiazole-5-carboxylic Acid Derivatives as Inhibitors of Protein Kinase CK2, Name: 3-Methoxybenzothioamide, the publication is Current Enzyme Inhibition (2018), 14(2), 152-159, database is CAplus.

Serine/threonine protein kinase CK2 is involved in the regulation of a number of cellular functions such as cell growth, proliferation, differentiation and apoptosis. Increased activity of CK2 is associated with the development of different types of cancer, inflammatory response, pain and virus infections. Therefore, protein kinase CK2 is an attractive mol. target for the development of small-mol. inhibitors which can be important compounds for pharmaceutical application. The main aim of this research is to identify novel chem. class of CK2 inhibitors with good lead-like properties. In order to find novel CK2 inhibitors, virtual screening experiments were performed using Autodock software. Best-scored compounds were tested in vitro using P32 radioactive kinase assay. Small-mol. inhibitors of protein kinase CK2 were identified among the derivatives of 1,3-thiazole-5-carboxylic acid. The most active compound inhibited CK2 with IC₅₀ value of 0.4 μM. Ligand efficiency for studied derivatives of 1,3-thiazole-5-carboxylic acid was in the range from 0.45 to 0.56 kcal/mol/non-hydrogen atom. Considering the fact that the lower limit for ligand efficiency parameter is 0.3, the identified CK2 inhibitors among the derivatives of 1,3-thiazole-5-carboxylic acid are excellent candidates for further lead optimization.

Current Enzyme Inhibition 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, Name: 3-Methoxybenzothioamide.

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

Nemazanyi, A. G. published the artcileNew approach to the synthesis of polyfunctional isoquinolones, Recommanded Product: 2,4-Dichlorobenzamide, the publication is Doklady Akademii Nauk Ukrainskoi SSR, Seriya B: Geologicheskie, Khimicheskie i Biologicheskie Nauki (1989), 36-9, database is CAplus.

The title isoquinolones I (R¹ = H, R² = NO₂, R³ = H, Me, Ph, PhCH₂, 4-MeOC₆H₄; R¹ = Cl, R² = H, R³ = H, Me; R¹-R³ = H) were prepared in 54-93% yields by treating the corresponding benzamides II (R⁴ = H, Me, X = Cl, F) with CH₂(CN)₂ in DMF containing K₂CO₃.

Doklady Akademii Nauk Ukrainskoi SSR, Seriya B: Geologicheskie, Khimicheskie i Biologicheskie Nauki 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

Belarbi, Saida published the artcileComparison of Different d-SPE Sorbent Performances Based on Quick, Easy, Cheap, Effective, Rugged, and Safe (QuEChERS) Methodology for Multiresidue Pesticide Analyses in Rapeseeds, Application of 2-Chloroacetamide, the publication is Molecules (2021), 26(21), 6727, database is CAplus and MEDLINE.

Pesticide extraction in rapeseed samples remains a great anal. challenge due to the complexity of the matrix, which contains proteins, fatty acids, high amounts of triglycerides and cellulosic fibers. An HPLC-MS/MS method was developed for the quantification of 179 pesticides in rapeseeds. The performances of the quick, easy, cheap, effective, rugged, and safe (QuEChERS) method were evaluated using different dispersive solid-phase extraction (d-SPE) sorbents containing common octadecylsilane silica/primary-secondary amine adsorbent (PSA/C18) and new commercialized d-SPE materials dedicated to fatty matrixes (Z-Sep, Z-Sep+, and EMR-Lipid). The anal. performances of these different sorbents were compared according to the SANTE/12682/2019 document. The best results were obtained using EMR-Lipid in terms of pesticide average recoveries (103 and 70 of the 179 targeted pesticides exhibited recoveries within 70-120% and 30-70%, resp., with low RSD values). Moreover, the limits of quantification (LOQ) range from 1.72 μg/kg to 6.39 μg/kg for 173 of the pesticides. Only the recovery for tralkoxydim at 10 μg/kg level was not satisfactory (29%). The matrix effect was evaluated and proved to be limited between -50% and 50% for 169 pesticides with this EMR-Lipid and freezing. GC-Orbitrap analyses confirmed the best efficiency of the EMR-Lipid sorbent for the purification of rapeseeds.

Molecules 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

Alcain, Francisco J. published the artcileSirtuin inhibitors, Recommanded Product: N-((4-Acetamidophenyl)carbamothioyl)-4-(tert-butyl)benzamide, the publication is Expert Opinion on Therapeutic Patents (2009), 19(3), 283-294, database is CAplus and MEDLINE.

A review. Background: The sirtuin family of deacetylase enzymes comprises seven proteins (SIRT1-7) that are dependent on NAD⁺ for their activity. Three proteins are located in the nucleus, three in the mitochondria and only one is predominantly cytoplasmic. Caloric restriction and oxidative stress generally up-regulate their expression. SIRT1, the ortholog of yeast Sir2, is the mammalian sirtuin that has been most extensively studied to date. Among other targets, SIRT1 down-regulates the activity of the nuclear transcription factor p53, being this related with an increase in lifespan and cell survival associated to stress resistance. Objective: Because sirtuin modulation could have beneficial effects on several human diseases, there is a growing interest in the discovery and development of small mols. that modify its activity. This review will be focused on sirtuin inhibitors. Conclusions: Several specific inhibitors of SIRT1 have been described. These compounds could be mainly useful for the treatment of cancers by increasing p53 activity that stops the formation of tumors and induces apoptosis. A p53-independent massive induction of apoptosis has been also described for one inhibitor. In addition, a potent and selective SIRT2 inhibitor that ameliorates the α-synuclein fibril formation in Parkinson disease has been proposed to treat this kind of neurodegenerative disease.

Expert Opinion on Therapeutic Patents published new progress about 380315-80-0. 380315-80-0 belongs to amides-buliding-blocks, auxiliary class Apoptosis,p53, name is N-((4-Acetamidophenyl)carbamothioyl)-4-(tert-butyl)benzamide, and the molecular formula is C20H23N3O2S, Recommanded Product: N-((4-Acetamidophenyl)carbamothioyl)-4-(tert-butyl)benzamide.

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

Papa, Ester published the artcileStatistically Validated QSARs, Based on Theoretical Descriptors, for Modeling Aquatic Toxicity of Organic Chemicals in Pimephales promelas (Fathead Minnow), Related Products of amides-buliding-blocks, the publication is Journal of Chemical Information and Modeling (2005), 45(5), 1256-1266, database is CAplus and MEDLINE.

The use of Quant. Structure-Activity Relationships in assessing the potential neg. effects of chems. plays an important role in ecotoxicol. (LC₅₀)_96h in Pimephales promelas (Duluth database) is widely modeled as an aquatic toxicity end-point. The object of this study was to compare different mol. descriptors in the development of new statistically validated QSAR models to predict the aquatic toxicity of chems. classified according to their MOA and in a unique general model. The applied multiple linear regression approach (ordinary least squares) is based on theor. mol. descriptor variety (1D, 2D, and 3D, from DRAGON package, and some calculated logP). The best combination of modeling descriptors was selected by the Genetic Algorithm-Variable Subset Selection procedure. The robustness and the predictive performance of the proposed models was verified using both internal (cross-validation by LOO, bootstrap, Y-scrambling) and external statistical validations (by splitting the original data set into training and validation sets by Kohonen-artificial neural networks (K-ANN)). The model applicability domain (AD) was checked by the leverage approach to verify prediction reliability.

Journal of Chemical Information and Modeling 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, Related Products of amides-buliding-blocks.

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

Nim-anussornkul, Duangrat published the artcileSynthesis and optical properties of pyrrolidinyl peptide nucleic acid bearing a base discriminating fluorescence nucleobase 8-(pyrene-1-yl)-ethynyladenine, Recommanded Product: 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, the publication is Bioorganic & Medicinal Chemistry (2017), 25(24), 6388-6397, database is CAplus and MEDLINE.

A combination of fluorophore and nucleobase through a π-conjugated rigid linker integrates the base pairing and the fluorescence change into a single event. Such base discriminating fluorophore can change its fluorescence as a direct response to the base pairing event and therefore have advantages over tethered labels or base surrogates lacking the hydrogen-bonding ability. 8-(Pyrene-1-yl)ethynyl-adenine (A^PyE) has been extensively used as fluorescence labels in DNA and LNA, but it showed little discrimination between different nucleobases. Herein we investigated the synthesis, base pairing ability and optical properties of A^PyE in pyrrolidinyl peptide nucleic acid – a DNA mimic that shows much stronger affinity and specificity towards DNA than natural oligonucleotides. The A^PyE in PNA pairs specifically with thymine in the DNA strand, and resulted in 1.5-5.2-fold enhanced and blue-shifted fluorescence emission. Fluorescence quenching was observed in the presence of mismatched base or abasic site directly opposite to the A^PyE. The behavior of A^PyE in acpcPNA is distinctively different from DNA whereby a fluorescence was increased selectively upon duplex formation with complementary DNA and therefore emphasizing the unique advantages of using PNA as alternative oligonucleotide probes. Applications as color-shifting probe for detection of trinucleotide repeats in DNA were demonstrated, and the performance of the probe was further improved by combination with reduced graphene oxide as an external nano-quencher.

Bioorganic & Medicinal Chemistry 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, Recommanded Product: 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.

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

Premkumar, Muniyappan published the artcileHalf-sandwich Ruthenium(II) Schiff base complexes: Synthesis, characterization and effective catalysts for one-pot conversion of aldehydes to amides, SDS of cas: 2447-79-2, the publication is Journal of Organometallic Chemistry (2019), 120964, database is CAplus.

Five new Schiff base ligands and conformationally rigid half-sandwich organo ruthenium(II) Schiff base complexes (1–5) with the general formula [Ru(η⁶-p-cymene)(Cl)(L_1-5)] (where, L = mono anionic Schiff base ligands) have been synthesized from the reaction of [{(η⁶-p-cymene)RuCl}₂(μ-Cl)₂] with a bidentate Schiff bases ligands. These ruthenium(II) Schiff base complexes were fully characterized by elemental anal., FT-IR, UV-Vis, ¹H & ¹³C NMR and mass spectroscopy studies. In chloroform solution, all the metal complexes exhibit characteristic metal to ligand charge transfer bands (MLCT) and emission bands in the visible region. The crystal structure of the complexes [Ru(η⁶-p-cymene)(Cl)(L₁)] (1) and [Ru(η⁶-p-cymene)(Cl)(L₃)] (3) were determined by single crystal x-ray crystallog. The complexes exhibited good catalytic activity for aldehydes to amides by one-pot conversion process in the presence of NaHCO₃/NH₂OH·HCl.

Journal of Organometallic Chemistry 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, SDS of cas: 2447-79-2.

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

Ratanaphain, Chatkrita published the artcileReactivity characterization of SiO₂-coated nano zero-valent iron for iodoacetamide degradation: The effects of SiO₂ thickness, and the roles of dehalogenation, hydrolysis and adsorption, COA of Formula: C2H4ClNO, the publication is Chemosphere (2022), 286(Part_3), 131816, database is CAplus and MEDLINE.

The effect of SiO₂-layer thickness in SiO₂-coated nano zero-valent iron (nZVI) particles on the reactivity characteristics of iodoacetamide (IAcAm) degradation was evaluated. SiO₂-layer thicknesses ranging from 3.6 to 27.3 nm were obtained through varying tetra-Et orthosilicate dosages of 0.001^-1 M. The crystallinity, surface chem. composition, and physicochem. properties were evaluated for their effects on synergetic degradation mechanisms, dehalogenation, hydrolysis, and adsorption. At a thickness of 3.6 nm, the SiO₂ layer offered the highest observed pseudo-first-order rate (kobs) and higher rates of IAcAm degradation were maintained under pH fluctuations (pH 5-7) and aerobic conditions compared to pristine nZVI. At this SiO₂-layer thickness (3.6 nm), the rate of iron oxide-layer formation was reduced and the migration of reactive iron species (Fe⁰ and Fe²⁺) for the dehalogenation and hydrolysis reactions was enabled. In a single-solute solution, IAcAm elimination was greater than bromoacetamide and chloroacetamide elimination due to the weak ionic I-C bond. In mixed solute conditions, the hydrophobicity of chloroacetamide played a more significant role in competitive degradation through greater adsorption. The proportion of dehalogenation relative to hydrolysis during IAcAm degradation by pristine nZVI and SiO₂-coated nZVI was approx. 0.6:0.4. Iodoacetic acid and acetic acid were detected as intermediates in the degradation pathway of IAcAm by pristine nZVI. In contrast, the SiO₂ layer on nZVI can accelerate the transformation of IAcAm to acetamide and iodoacetic acid. The electrolyte background of tap water exhibited a slight inhibitory effect on the degradation of IAcAm for both nZVI and SiO₂-coated nZVI.

Chemosphere 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, COA of Formula: C2H4ClNO.

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