Month: November 2022

Motlekar, Nuzhat published the artcileEvaluation of an Orthogonal Pooling Strategy for Rapid High-Throughput Screening of Proteases, Recommanded Product: 4-(1H-Benzo[d]imidazol-2-yl)-1,2,5-oxadiazol-3-amine, the publication is Assay and Drug Development Technologies (2008), 6(3), 395-405, database is CAplus and MEDLINE.

Orthogonal pooling was evaluated as a strategy for the rapid screening of multiple cysteine and serine proteases against large compound libraries. To validate the method the human cysteine protease cathepsin B was screened against a library of 64,000 individual compounds and also against the same library mixed 10 compounds per well. The orthogonal pooling method used resulted in each compound being present in two wells, mixed with a different set of nine other compounds in each location. Thus hits were identified based on activity in both locations, avoiding the need for retesting of each component of active mixtures Hits were tested in dose-response both in the dithiothreitol (DTT)-containing buffer used in the primary HTS and in buffer containing cysteine in place of DTT to rule out artifacts due to oxidative inactivation of the enzyme. Comparison of the confirmed actives from single-compound and mixture screening showed that mixture screening identified all of the actives from single-compound HTS. Based on these results the orthogonal pooling strategy has been used successfully to rapidly screen several cysteine and serine proteases.

Assay and Drug Development Technologies published new progress about 332026-86-5. 332026-86-5 belongs to imidazoles-derivatives, auxiliary class Oxadiazole,Amine,Benzimidazole, name is 4-(1H-Benzo[d]imidazol-2-yl)-1,2,5-oxadiazol-3-amine, and the molecular formula is C9H7N5O, Recommanded Product: 4-(1H-Benzo[d]imidazol-2-yl)-1,2,5-oxadiazol-3-amine.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Gadekar, Santosh C. published the artcileRerouting the Organocatalytic Benzoin Reaction toward Aldehyde Deuteration, Formula: C27H39ClN2, the publication is ACS Catalysis (2021), 11(23), 14561-14569, database is CAplus.

Herein, studies aimed at stabilizing reactive intermediates in the N-heterocyclic carbene (NHC) catalytic cycle was described, which enabled the full shutdown of the known benzoin coupling pathway, while rerouting its intermediates toward deuteration. The reversible nature of NHC catalysis and the selective stabilization of reaction intermediates facilitated clean hydrogen-deuterium exchange reactions of aromatic aldehydes by D₂O, even for challenging electron-withdrawing substrates. In several cases, the addition of catalytic amounts of Ph boronic acid was used to further stabilize highly reactive intermediates and mitigate the formation of benzoin coupling byproducts. The mechanistic understanding at the foundation of this work resulted in unprecedented mild conditions with base and catalyst loadings as low as 0.1 mol %, and a scalable deuteration reaction applicable to a broad substrate scope with outstanding functional group tolerance. More importantly, adopting this approach enabled the construction of a guideline for identifying the appropriate catalyst and conditions for different substrates. Exptl. studies combined with machine learning and computational methods shed light on the nontrivial mechanistic underpinnings of this reaction.

ACS Catalysis published new progress about 258278-25-0. 258278-25-0 belongs to imidazoles-derivatives, auxiliary class Achiral NHCs Ligands, name is 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride, and the molecular formula is C27H39ClN2, Formula: C27H39ClN2.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Fozing Mekeuo, Ghislaine Ariane published the artcilePreparation of Functionalized Ayous Sawdust-carbon Nanotubes Composite for the Electrochemical Determination of Carbendazim Pesticide, HPLC of Formula: 79917-90-1, the publication is Electroanalysis (2022), 34(4), 667-676, database is CAplus.

Fine particles of Ayous sawdust (AS) were successfully modified by maleic anhydride to increase their accumulation capability towards carbendazim (Cbz). For a more efficient use of the biosourced material as electrode modifier for electrochem. detection, the functionalized particles were mixed with carbon nanotubes to yield a conductive composite. After electrochem. characterization, the modified GCE was applied to Cbz detection. A sensitivity of (2.61±0.08) μA M^-1 and a detection limit of 0.04μM were obtained under optimized exptl. conditions. Moreover, the designed sensor was found efficient for Cbz determination in real samples (spring water and com. pesticide product).

Electroanalysis published new progress about 79917-90-1. 79917-90-1 belongs to imidazoles-derivatives, auxiliary class Ionic Liquid,Ionic Liquid, name is 3-Butyl-1-methyl-1H-imidazol-3-ium chloride, and the molecular formula is C8H15ClN2, HPLC of Formula: 79917-90-1.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Patel, Priyadarshini Chirag published the artcileFormulation and evaluation of sublingual tablets containing esomeprazole sodium, Application of Sodium (S)-6-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)benzo[d]imidazol-1-ide, the publication is World Journal of Pharmacy and Pharmaceutical Sciences (2018), 7(6), 954-965, database is CAplus.

The objective of the present research work was to develop and optimize a sublingual tablet of Esomeprazole sodium which is indicated for the treatment of gastro oesophageal reflux disease, by direct compression method. The tablets were prepared using four different superdisintegrants such as sodium starch glycolate, cross carmellose sodium, crosspovidone and Indion 414. The prepared tablets were evaluated for their phys. characteristics and in vitro drug release properties. In vitro release study was carried out using USP dissolution apparatus 2. The results revealed that the batch of tablets (F-13) formulated containing Indion 414 provides short wetting time of 8.2 s and in vitro disintegration time of 18.7 s, which facilitates its faster disintegration and drug content of 99.54%, and in-vitro drug release was found to be in formulation F-13 i.e. 99.86% within 120 s. From the above results, it indicate that Formulation F-13 emerged as the overall best formulation based on drug release characteristics with pH 6.8 phosphate buffer as dissolution medium. Stability studies were carried out which indicated that the selected formulation F-13 was found to be stable.

World Journal of Pharmacy and Pharmaceutical Sciences published new progress about 161796-78-7. 161796-78-7 belongs to imidazoles-derivatives, auxiliary class Membrane Transporter/Ion Channel,Proton Pump, name is Sodium (S)-6-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)benzo[d]imidazol-1-ide, and the molecular formula is C17H18N3NaO3S, Application of Sodium (S)-6-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)benzo[d]imidazol-1-ide.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Flosi, William J. published the artcileDiscovery of imidazolidine-2,4-dione-linked HIV protease inhibitors with activity against lopinavir-resistant mutant HIV, COA of Formula: C9H10N2O, the publication is Bioorganic & Medicinal Chemistry (2006), 14(19), 6695-6712, database is CAplus and MEDLINE.

A new series of HIV protease inhibitors has been designed and synthesized based on the combination of the (R)-(hydroxyethylamino)sulfonamide isostere and the cyclic urea component of lopinavir. The series was optimized by replacing the 6-membered cyclic urea linker with an imidazolidine-2,4-dione which readily underwent N-alkylation to incorporate various methylene-linked heterocycle groups that bind favorably in site 3 of HIV protease. Significant improvements compared to lopinavir were seen in cell culture activity vs. wild-type virus (pNL4-3) and the lopinavir-resistant mutant virus A17 (generated by in vitro serial passage of HIV-1 (pNL4-3) in MT-4 cells). Select imidazolidine-2,4-dione containing PIs were also more effective at inhibiting highly resistant patient isolates Pt1 and Pt2 than lopinavir. Pharmacokinetic data collected for compounds in this series varied considerably when coadministered orally in the rat with an equal amount of ritonavir (5 mg/kg each). The AUC values ranged from 0.144 to 12.33 μg h/mL.

Bioorganic & Medicinal Chemistry published new progress about 7467-35-8. 7467-35-8 belongs to imidazoles-derivatives, auxiliary class Benzimidazole,Alcohol, name is (1-Methyl-1H-benzo[d]imidazol-2-yl)methanol, and the molecular formula is C9H10N2O, COA of Formula: C9H10N2O.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Flosi, William J. published the artcileDiscovery of imidazolidine-2,4-dione-linked HIV protease inhibitors with activity against lopinavir-resistant mutant HIV, Computed Properties of 4760-35-4, the publication is Bioorganic & Medicinal Chemistry (2006), 14(19), 6695-6712, database is CAplus and MEDLINE.

A new series of HIV protease inhibitors has been designed and synthesized based on the combination of the (R)-(hydroxyethylamino)sulfonamide isostere and the cyclic urea component of lopinavir. The series was optimized by replacing the 6-membered cyclic urea linker with an imidazolidine-2,4-dione which readily underwent N-alkylation to incorporate various methylene-linked heterocycle groups that bind favorably in site 3 of HIV protease. Significant improvements compared to lopinavir were seen in cell culture activity vs. wild-type virus (pNL4-3) and the lopinavir-resistant mutant virus A17 (generated by in vitro serial passage of HIV-1 (pNL4-3) in MT-4 cells). Select imidazolidine-2,4-dione containing PIs were also more effective at inhibiting highly resistant patient isolates Pt1 and Pt2 than lopinavir. Pharmacokinetic data collected for compounds in this series varied considerably when coadministered orally in the rat with an equal amount of ritonavir (5 mg/kg each). The AUC values ranged from 0.144 to 12.33 μg h/mL.

Bioorganic & Medicinal Chemistry published new progress about 4760-35-4. 4760-35-4 belongs to imidazoles-derivatives, auxiliary class Chloride,Benzimidazole, name is 2-(Chloromethyl)-1-methyl-1H-benzo[d]imidazole, and the molecular formula is C9H9ClN2, Computed Properties of 4760-35-4.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Singh, Brahma N. published the artcileCompatibility of ceftaroline fosamil for injection with selected drugs during simulated Y-site administration, Computed Properties of 161796-78-7, the publication is American Journal of Health-System Pharmacy (2011), 68(22), 2163-2169, database is CAplus and MEDLINE.

Purpose: The phys. compatibility of ceftaroline fosamil with commonly used medications and diluents (a total of 73 drugs in 219 admixtures) during simulated Y-site administration was evaluated. Methods. Duplicate 5-mL samples of ceftaroline fosamil (2.22 mg/mL) in 5% dextrose injection, 0.9% sodium chloride injection, and lactated Ringer’s injection were combined at a 1:1 ratio with samples of 73 drugs (diluted or undiluted). Visual examinations were performed with the unaided eye in fluorescent light and with the aid of a Tyndall beam; the turbidity and particulate content of each sample were also measured. The compatibility of ceftaroline fosamil with propofol was evaluated by visually inspecting for emulsion separation and particle formation after centrifugation. All evaluations were performed within 15 min of sample preparation and at one and four hours after preparation Results: Ceftaroline fosamil was phys. compatible with 64 drugs in a combination of 196 admixtures for at least four hours, exhibiting color, clarity, turbidity, and microparticle content similar to those of control solutions Signs of phys. incompatibility, including visible precipitation, increased turbidity, and microparticle formation, were observed with 9 drugs in 23 admixtures during the four-hour observation period. Conclusion: Of the 73 drugs evaluated, 64 were compatible and 7 were incompatible with ceftaroline fosamil 2.22 mg/mL in 3 standard infusion solutions Nine drugs in 23 admixtures were observed to exhibit signs of incompatibility with ceftaroline fosamil within four hours of mixing; those drugs should not be simultaneously administered via a Y-site with ceftaroline preparations

American Journal of Health-System Pharmacy published new progress about 161796-78-7. 161796-78-7 belongs to imidazoles-derivatives, auxiliary class Membrane Transporter/Ion Channel,Proton Pump, name is Sodium (S)-6-methoxy-2-(((4-methoxy-3,5-dimethylpyridin-2-yl)methyl)sulfinyl)benzo[d]imidazol-1-ide, and the molecular formula is C11H22N2O4, Computed Properties of 161796-78-7.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Czegeni, Csilla Eniko published the artcileSelective hydration of nitriles to corresponding amides in air with Rh(I)-N-heterocyclic complex catalysts, Formula: C27H39ClN2, the publication is Catalysts (2020), 10(1), 125, database is CAplus.

A new synthetic method for obtaining [RhCl(cod)(NHC)] complexes (1–4) (cod = η⁴ -1,5- cyclooctadiene, NHC = N-heterocyclic carbene: IMes, SIMes, IPr, and SIPr, resp.) is reported together with the catalytic properties of 1–4 in nitrile hydration. In addition to the characterization of 1–4 in solution by ¹³C NMR spectroscopy, the structures of complexes 3, and 4 have been established also in the solid state with single-crystal X-ray diffraction anal. The Rh(I)-NHC complexes displayed excellent catalytic activity in hydration of aromatic nitriles (up to TOF = 276 h^-1) in water/2-propanol (1/1 volume/volume) mixtures in air.

Catalysts published new progress about 258278-25-0. 258278-25-0 belongs to imidazoles-derivatives, auxiliary class Achiral NHCs Ligands, name is 1,3-Bis(2,6-diisopropylphenyl)-4,5-dihydro-1H-imidazol-3-ium chloride, and the molecular formula is C27H39ClN2, Formula: C27H39ClN2.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Henriques, Ruan R. published the artcileDual Role of Magnetic Ionic Liquids as Curing Agents of Epoxy Resin and Microwave-Absorbing Additives, Synthetic Route of 79917-90-1, the publication is ACS Applied Polymer Materials (2022), 4(2), 1207-1217, database is CAplus.

The dual role of phosphonium- and imidazolium-based ionic liquids (ILs) combined with FeCl₄ counter anions as hardeners for epoxy resin (ER) and additives for improving the microwave-absorbing properties was studied. The influence of the chem. nature of the cation on the curing process of ER was evaluated by rheometric and differential scanning calorimetry (DSC) anal. No significant curing process was observed for the ER-based systems until 7 days of storage at room temperature DSC anal. under the dynamic mode was carried out at different heating rates to evaluate the best curing protocol and the kinetic parameters. Phosphonium-based ILs promoted faster curing rate and lower activation energy of the epoxy system, higher cross-link d. observed by dynamic mech. anal., and better thermal stability. Moreover, ER cured with phosphonium ILs presented good microwave-absorbing properties, with min. reflection loss values of -13.5 dB (at 9.5 GHz) and -11.5 dB (at 14.5 GHz), corresponding to more than 90% of electromagnetic attenuation. ER cured with these magnetic ILs can be used as promising microwave-absorbing materials in both X-band (8-12 GHz) and Ku-band (12-18 GHz).

ACS Applied Polymer Materials published new progress about 79917-90-1. 79917-90-1 belongs to imidazoles-derivatives, auxiliary class Ionic Liquid,Ionic Liquid, name is 3-Butyl-1-methyl-1H-imidazol-3-ium chloride, and the molecular formula is C8H15ClN2, Synthetic Route of 79917-90-1.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem

Kang, Shoukai published the artcileCOMBINES-CID: An Efficient Method for De Novo Engineering of Highly Specific Chemically Induced Protein Dimerization Systems, COA of Formula: C18H34N4O5S, the publication is Journal of the American Chemical Society (2019), 141(28), 10948-10952, database is CAplus and MEDLINE.

Chem. induced dimerization (CID) systems, in which two proteins dimerize only in the presence of a small mol. ligand, offer versatile tools for small mol. sensing and actuation. However, only a handful of CID systems exist and creating one with the desired sensitivity and specificity for any given ligand is an unsolved problem. Here, we developed a combinatorial binders-enabled selection of CID (COMBINES-CID) method broadly applicable to different ligands. We demonstrated a proof-of-principle by generating nanobody-based heterodimerization systems induced by cannabidiol with high ligand selectivity. We applied the CID system to a sensitive sandwich ELISA-like assay of cannabidiol in body fluids with a detection limit of �.25 ng/mL. COMBINES-CID provides an efficient, cost-effective solution for expanding the biosensor toolkit for small mol. detection.

Journal of the American Chemical Society published new progress about 359860-27-8. 359860-27-8 belongs to imidazoles-derivatives, auxiliary class Other Aliphatic Heterocyclic,Chiral,Amine,Amide,Ether,Inhibitor, name is N-(2-(2-(2-(2-Aminoethoxy)ethoxy)ethoxy)ethyl)-5-((3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanamide, and the molecular formula is C18H34N4O5S, COA of Formula: C18H34N4O5S.

Referemce:
https://en.wikipedia.org/wiki/Imidazole,
Imidazole | C3H4N2 – PubChem