Category: 94-20-2

Sakthi, G. published the artcile< Contradictory opinion of the Terminalia chebula linn. -literature review>, SDS of cas: 94-20-2, the main research area is review Terminalia chebula drug interaction toxicity.

A review. Terminalia chebula is used as common and effective herb in traditional, Siddha & Ayurvedic medicine as Indian Medicine. In siddha medical system know as “”Mother of Herb”” is mentioned in manuscripts texts. In this research paper objected as enumerate the side effect or toxicity effect from Gall Nut or safe drug for all by searching the literatures in books and articles. Finally concluded by collected data results as; continuous drug period of intake for up to 3 mo. And drug interactions reported as; Taking Terminalia along with diabetes medications might cause your blood sugar to go too low. In toxicity studies shows as; In the acute phase of the study, the safe dose was ≤5000 mg/kg for both extracts In sub- acute phase, LD50 (95% CI) of Terminalia chebula extract 2754.436 (2438-3114) mg/kg. The highest dose of T. chebula extract induced few histopathol. changes.

European Journal of Biomedical and Pharmaceutical Sciences published new progress about Diabetes mellitus. 94-20-2 belongs to class amides-buliding-blocks, and the molecular formula is C10H13ClN2O3S, SDS of cas: 94-20-2.

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

Irigoyen, Sonia; Ramasamy, Manikandan; Pant, Shankar; Niraula, Prakash; Bedre, Renesh; Gurung, Meena; Rossi, Denise; Laughlin, Corinne; Gorman, Zachary; Achor, Diann; Levy, Amit; Kolomiets, Michael V.; Setamou, Mamoudou; Badillo-Vargas, Ismael E.; Avila, Carlos A.; Irey, Michael S.; Mandadi, Kranthi K. published the artcile< Plant hairy roots enable high throughput identification of antimicrobials against Candidatus Liberibacter spp.>, Electric Literature of 94-20-2, the main research area is antimicrobial hairy root disease Candidatus.

A major bottleneck in identifying therapies to control citrus greening and other devastating plant diseases caused by fastidious pathogens is our inability to culture the pathogens in defined media or axenic cultures. As such, conventional approaches for antimicrobial evaluation (genetic or chem.) rely on time-consuming, low-throughput and inherently variable whole-plant assays. Here, we report that plant hairy roots support the growth of fastidious pathogens like Candidatus Liberibacter spp., the presumptive causal agents of citrus greening, potato zebra chip and tomato vein greening diseases. Importantly, we leverage the microbial hairy roots for rapid, reproducible efficacy screening of multiple therapies. We identify six antimicrobial peptides, two plant immune regulators and eight chems. which inhibit Candidatus Liberibacter spp. in plant tissues. The antimicrobials, either singly or in combination, can be used as near- and long-term therapies to control citrus greening, potato zebra chip and tomato vein greening diseases.

Nature Communications published new progress about Antimicrobial agents. 94-20-2 belongs to class amides-buliding-blocks, and the molecular formula is C10H13ClN2O3S, Electric Literature of 94-20-2.

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

Abraham, Nathan S.; Shirts, Michael R. published the artcile< Adding Anisotropy to the Standard Quasi-Harmonic Approximation Still Fails in Several Ways to Capture Organic Crystal Thermodynamics>, Electric Literature of 94-20-2, the main research area is organic crystal thermodn quasi harmonic approximation anisotropy.

We evaluate the accuracy of varying thermal expansion models for the quasi-harmonic approximation (QHA) relative to mol. dynamics (MD) for 10 sets of enantiotropic organic polymorphs. Relative to experiment we find that MD, using an off-the-shelf point charge potential, gets the sign of the enthalpic contributions correct for 6 of the 10 pairs of polymorphs and the sign of the entropic contributions correct for all pairs. We find that anisotropic QHA provides little improvement to the error in free energy differences from MD relative to isotropic QHA, but does a better job capturing the thermal expansion of the crystals. A form of entropy-enthalpy compensation allows the free energy differences of QHA to deviate less than 0.1 kcal/mol from MD for most polymorphic pairs, despite errors up to 0.4 kcal/mol in the entropy and enthalpy. Deviations in the free energy of QHA and MD do not clearly correlate with mol. flexibility, clarifying a previously published finding. Much of the error previously found between QHA and MD for these flexible mols. is reduced when QHA is run from a lattice min. consistent with the same basin as MD, rather than the energy-minimized exptl. crystal structure. Specifically, performing anisotropic QHA on lattice min. quenched from low-temperature replica exchange simulations reduced the error previously found by 0.2 kcal/mol on average However, these conformationally flexible mols. can have many low-temperature conformational min., and the choice of an inconsistent min. causes free energies estimated from QHA to deviate from MD at temperatures as low as 10 K. We also find finite size errors in the polymorph free energy differences using anisotropic QHA, with free energy differences as large as 0.5 kcal/mol between unit and supercells loosely correlated with differences in anisotropic thermal expansion. These larger system sizes are computationally more accessible using our cheaper 1D variant of anisotropic QHA, which gives free energies within 0.02 kcal/mol of the fully anisotropic approach at all temperatures studied. The errors between MD and experiment are 1-2 orders of magnitude larger than those seen between QHA and MD, so the quality of the force field used is still of primary concern, but this study illustrates a number of other important factors that must be considered to obtain quant. organic crystal thermodn. We examine how much of the difference between the quasiharmonic approximation (QHA) and mol. dynamics (MD) is due to anisotropic expansion for 10 enantiotropic sets of polymorphs. Although consistent free energies with QHA are dependent on finding the lattice min. corresponding to the model, differences between methods are relatively small compared the differences from experiment due to choice of model.

Crystal Growth & Design published new progress about Anisotropy. 94-20-2 belongs to class amides-buliding-blocks, and the molecular formula is C10H13ClN2O3S, Electric Literature of 94-20-2.

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

Sarraguca, Mafalda C.; Ribeiro, Paulo R. S.; Nunes, Claudia; Seabra, Catarina Leal published the artcile< Solids Turn into Liquids-Liquid Eutectic Systems of Pharmaceutics to Improve Drug Solubility>, Recommanded Product: 4-Chloro-N-(propylcarbamoyl)benzenesulfonamide, the main research area is chlorpropamide tolbutamide therapeutic liquid eutectic system solubility diabetes; chlorpropamide; diabetes; eutectic systems; green chemistry; solubility; therapeutic liquid eutectic systems; tolbutamide.

The low solubility of active pharmaceutical ingredients (APIs) is a problem in pharmaceutical development. Several methodologies can be used to improve API solubility, including the use of eutectic systems in which one of the constituents is the API. This class of compounds is commonly called Therapeutic Deep Eutectic Systems (THEDES). THEDES has been gaining attention due to their properties such as non-toxicity, biodegradability, and being non-expensive and easy to prepare Since the knowledge of the solid liquid diagram of the mixture and the ideal eutectic point is necessary to ascertain if a mixture is a deep eutectic or just a eutectic mixture that is liquid at ambient temperature, the systems studied in this work are called Therapeutic Liquid Eutectic Systems (THELES). Therefore, the strategy proposed in this work is to improve the solubility of chlorpropamide and tolbutamide by preparing THELES. Both APIs are sulfonylurea compounds used for the treatment of type 2 diabetes mellitus and have low solubility in water. To prepare the THELES, several coformers were tested, namely, tromethamine, L(+)-arginine, L-tryptophan, citric acid, malic acid, ascorbic acid, and p-aminobenzoic acid, in molar ratios of 1:1 and 1:2. To improve viscosity, water was added in different molar ratios to all systems. THELES were characterized by mid-IR spectroscopy (MIR), and differential scanning calorimetry. Their viscosity, solubility, and permeability were also determined Their stability at room temperature and 40°C was accessed by MIR. Cytocompatibility was performed by metabolic activity and cell lysis evaluation, according to ISO10993-5:2009, and compared with the crystalline APIs. THELES with TRIS were successfully synthesized for both APIs. Results showed an increased solubility without a decrease in the permeability of the APIs in the THELES when compared with the pure APIs. The THELES were also considered stable for 8 wk at ambient temperature The cells studied showed that the THELES were not toxic for the cell lines used.

Pharmaceuticals published new progress about Biocompatibility, cytocompatibility. 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

Podtelezhnikov, Alexei A.; Monroe, James J.; Aslamkhan, Amy G.; Pearson, Kara; Qin, Chunhua; Tamburino, Alex M.; Loboda, Andrey P.; Glaab, Warren E.; Sistare, Frank D.; Tanis, Keith Q. published the artcile< Quantitative transcriptional biomarkers of xenobiotic receptor activation in rat liver for the early assessment of drug safety liabilities>, Product Details of C10H13ClN2O3S, the main research area is transcriptional biomarker xenobiotic receptor rat liver drug toxicity safety; biomarkers; gene expression/regulation; liver; methods; receptor; safety evaluation; systems; toxicogenomics; toxicology; transcription factors.

The robust transcriptional plasticity of liver mediated through xenobiotic receptors underlies its ability to respond rapidly and effectively to diverse chem. stressors. Thus, drug-induced gene expression changes in liver serve not only as biomarkers of liver injury, but also as mechanistic sentinels of adaptation in metabolism, detoxification, and tissue protection from chems. Modern RNA sequencing methods offer an unmatched opportunity to quant. monitor these processes in parallel and to contextualize the spectrum of dose-dependent stress, adaptation, protection, and injury responses induced in liver by drug treatments. Using this approach, we profiled the transcriptional changes in rat liver following daily oral administration of 120 different compounds, many of which are known to be associated with clin. risk for drug-induced liver injury by diverse mechanisms. Clustering, correlation, and linear modeling analyses were used to identify and optimize coexpressed gene signatures modulated by drug treatment. Here, we specifically focused on prioritizing 9 key signatures for their pragmatic utility for routine monitoring in initial rat tolerability studies just prior to entering drug development. These signatures are associated with 5 canonical xenobiotic nuclear receptors (AHR, CAR, PXR, PPARα, ER), 3 mediators of reactive metabolite-mediated stress responses (NRF2, NRF1, P53), and 1 liver response following activation of the innate immune response. Comparing paradigm chem. inducers of each receptor to the other compounds surveyed enabled us to identify sets of optimized gene expression panels and associated scoring algorithms proposed as quant. mechanistic biomarkers with high sensitivity, specificity, and quant. accuracy. These findings were further qualified using public datasets, Open TG-GATEs and DrugMatrix, and internal development compounds With broader collaboration and addnl. qualification, the quant. toxicogenomic framework described here could inform candidate selection prior to committing to drug development, as well as complement and provide a deeper understanding of the conventional toxicol. study endpoints used later in drug development.

Toxicological Sciences published new progress about Animal gene Role: BSU (Biological Study, Unclassified), BIOL (Biological Study) (CAR). 94-20-2 belongs to class amides-buliding-blocks, and the molecular formula is C10H13ClN2O3S, Product Details of C10H13ClN2O3S.

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

Agbaje, Olorunsola F.; Coleman, Ruth L.; Hattersley, Andrew T.; Jones, Angus G.; Pearson, Ewan R.; Shields, Beverley M.; Holman, Rury R. published the artcile< Predicting post one-year durability of glucose-lowering monotherapies in patients with newly-diagnosed type 2 diabetes mellitus - A MASTERMIND precision medicine approach (UKPDS 87)>, Application In Synthesis of 94-20-2, the main research area is durability glucose monotherapy diabetes mellitus; Durability; Glucose-lowering agents; Modelling; Monotherapy failure; Precision medicine.

Predicting likely durability of glucose-lowering therapies for people with type 2 diabetes (T2D) could help inform individualised therapeutic choices. We used data from UKPDS patients with newly-diagnosed T2D randomised to first-line glucose-lowering monotherapy with chlorpropamide-glibenclamide-basal insulin or metformin. In 2339 participants who achieved one-year HbA1c values <7.5% (<59 mmol/mol)-we assessed relationships between one-year characteristics and time to monotherapy-failure (HbA1c ≥ 7.5% or requiring second-line therapy). Model validation was performed using bootstrap sampling.Follow-up was median (IQR) 11.0 (8.0-14.0) years. Monotherapy-failure occurred in 72%-82%-75% and 79% for those randomised to chlorpropamide-glibenclamide-basal insulin or metformin resp.-after median 4.5 (3.0-6.6)-3.7 (2.6-5.6)-4.2 (2.7-6.5) and 3.8 (2.6- 5.2) years. Time-to-monotherapy-failure was predicted primarily by HbA1c and BMI values-with other risk factors varying by type of monotherapy-with predictions to within ±2.5 years for 55%-60%-56% and 57% of the chlorpropamide-glibenclamide-basal insulin and metformin monotherapy cohorts resp. Post one-year glycemic durability can be predicted robustly in individuals with newly-diagnosed T2D who achieve HbA1c values < 7.5% one year after commencing traditional monotherapies. Such information could be used to help guide glycemic management for individual patients. Diabetes Research and Clinical Practice published new progress about Durability of materials. 94-20-2 belongs to class amides-buliding-blocks, and the molecular formula is C10H13ClN2O3S, Application In Synthesis of 94-20-2.

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

Singh, Imocha Rajkumar; Mitra, Sivaprasad published the artcile< Modulated Protein Binding Ability of Anti-Diabetic Drugs in Presence of Monodispersed Gold Nanoparticles and its Inhibitory Potential towards Advanced Glycated End (AGE) Product Formation>, SDS of cas: 94-20-2, the main research area is gold nanoparticle delivery advanced glycated end antidiabetic agent; AGE product; Drug binding; Fluorescence; Nanomedicine; Serum albumin.

Binding strength of the anti-diabetic drugs chlorpropamide (CPM) and tolbutamide (TBM) with model protein bovine serum albumin (BSA) shows strong modulation in presence of colloidal gold nanoparticles (AuNP). Intrinsic tryptophan fluorescence of both the native BSA and BSA-AuNP conjugate quenched in presence of the drugs. Stern-Volmer quenching constant (KSV) of CPM binding to BSA-AuNP conjugate at different temperatures is almost twice (6.76∼14.76 x 103 M-1) than the corresponding values in native BSA (3.21∼5.72 x 103 M-1). However, the calculated KSV values with TBM show certain degree of reduction in presence of AuNP (6.46x 103 M-1), while comparing with native BSA (8.83 x 103 M-1). The binding mode of CPM towards BSA-AuNP conjugate is mainly through hydrophobic forces; whereas, TBM binding is identified to be Van der Waal’s and hydrogen bonding type of interaction. Fluorescence lifetime anal. confirms static type of quenching for the intrinsic tryptophan fluorescence of BSA as well as BSA-AuNP conjugate with addition of CPM and TBM at different concentrations The α-helical content in the secondary structure of BSA is decreased to 48.32% and 45. 28% in presence of AuNP, when the concentration of CPM is 0.08 mM and 0.16 mM in comparison with that of native protein (50.13%). On the other hand, the intensity of sugar induced advanced glycated end (AGE) product fluorescence is decreased by 55% and 80% at 0.13 nM and 0.68 nM AuNP, resp. Change in the binding strength of the drugs with transport protein and reduced AGE product formation in presence of AuNP could lead to a major development in the field of nanomedicine and associated drug delivery techniques. Graphical AbstractModulated drug binding ability and AGE product formation of serum proteins in presence of AuNP [graphic not available: see fulltext].

Journal of Fluorescence published new progress about Adsorption. 94-20-2 belongs to class amides-buliding-blocks, and the molecular formula is C10H13ClN2O3S, SDS of cas: 94-20-2.

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

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

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