Month: October 2022

The author of 《Intermolecular, Branch-Selective, and Redox-Neutral Cp*IrIII-Catalyzed Allylic C-H Amidation》 were Knecht, Tobias; Mondal, Shobhan; Ye, Jian-Heng; Das, Mowpriya; Glorius, Frank. And the article was published in Angewandte Chemie, International Edition in 2019. SDS of cas: 530-62-1 The author mentioned the following in the article:

Herein, we report the redox-neutral, intermol., and highly branch-selective amidation of allylic C-H bonds enabled by Cp*IrIII catalysis. A variety of readily available carboxylic acids were converted into the corresponding dioxazolones and efficiently coupled with terminal and internal olefins in high yields and selectivities. Mechanistic investigations support the formation of a nucleophilic IrIII-allyl intermediate rather than the direct insertion of an Ir-nitrenoid species into the allylic C-H bond. In the experiment, the researchers used many compounds, for example, Di(1H-imidazol-1-yl)methanone(cas: 530-62-1SDS of cas: 530-62-1)

Di(1H-imidazol-1-yl)methanone(cas: 530-62-1) is a coupling agent in the synthesis of dipolar polyamides for nonlinear optical applications and polypeptides. It also used to make β-keto sulfones and sulfoxides, lead sequestering agents, and β-enamino acid derivatives.SDS of cas: 530-62-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《Pendant Alkoxy Groups on N-Aryl Substitutions Drive the Efficiency of Imidazolylidene Catalysts for Homoenolate Annulation from Enal and Aldehyde》 was published in Angewandte Chemie, International Edition in 2020. These research results belong to Kyan, Ryuji; Sato, Kohei; Mase, Nobuyuki; Narumi, Tetsuo. Application In Synthesis of 1,3-Dimesityl-1H-imidazol-3-ium chloride The article mentions the following:

Hydrogen-transfer in the tetrahedral intermediate generated from an imidazolylidene catalyst and α,β-unsaturated aldehyde forms a conjugated Breslow intermediate. This is a critical step affecting the efficiency of the NHC-catalyzed γ-butyrolactone formation via homoenolate addition to aryl aldehydes. A novel type of imidazolylidene catalyst with pendant alkoxy groups on the ortho-N-aryl groups is described. Catalyst of this sort facilitates the formation of the conjugated Breslow intermediate. Studies of the rate constants for homoenolate annulation affording γ-butyrolactones, reveal that introduction of the oxygen atoms in the appropriate position of the N-aryl substituents can increase the efficiency of imidazolylidene catalysts. Structural and mechanistic studies revealed that pendant alkoxy groups can be located close to the proton of the tetrahedral intermediate, thereby facilitating the proton transfer. The results came from multiple reactions, including the reaction of 1,3-Dimesityl-1H-imidazol-3-ium chloride(cas: 141556-45-8Application In Synthesis of 1,3-Dimesityl-1H-imidazol-3-ium chloride)

1,3-Dimesityl-1H-imidazol-3-ium chloride(cas: 141556-45-8) is a ligand for arylation of aldehydes and for carbene catalyzed intermolecular arylation of C-H bonds. It is used as a phosphine-free ligand in various metal-catalyzed coupling reactions, often with advantageous results in difficult cases.Application In Synthesis of 1,3-Dimesityl-1H-imidazol-3-ium chloride

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《Alkylated benzimidazoles: Design, synthesis, docking, DFT analysis, ADMET property, molecular dynamics and activity against HIV and YFV》 was published in Computational Biology and Chemistry in 2020. These research results belong to Srivastava, Ritika; Gupta, Sunil K.; Naaz, Farha; Sen Gupta, Parth Sarthi; Yadav, Madhu; Singh, Vishal Kumar; Singh, Anuradha; Rana, Malay Kumar; Gupta, Satish Kumar; Schols, Dominique; Singh, Ramendra K.. Related Products of 4857-06-1 The article mentions the following:

A series of alkylated benzimidazole derivatives I [R1 = H, Br, NO2; R2 = H, Br, NO2; R3 = (CH2)2OH, (CH2)3OH] was synthesized and screened for their anti-HIV, anti-YFV, and broad-spectrum antiviral properties. The physicochem. parameters and drug-like properties of the compounds were assessed first, and then docking studies and MD simulations on HIV-RT allosteric sites were conducted to find the possible mode of their action. DFT anal. was also performed to confirm the nature of the hydrogen bonding interaction of active compounds The in silico studies indicated that the mols. behaved like possible NNRTIs. The nature – polar or non-polar and position of the substituent present at fifth, sixth, and N-1 positions of the benzimidazole moiety played an important role in determining the antiviral properties of the compounds Among the various compounds, I (R1 = R2 = Br; R3 = (CH2)2OH) showed anti-HIV activity with an appreciably low IC50 value as 0.386 x 10-5μM. Similarly, compound I (R1 = NO2; R2 = H; R3 = (CH2)3OH), showed excellent inhibitory property against the yellow fever virus (YFV) with EC50 value as 0.7824 x 10-2μM. In the experiment, the researchers used many compounds, for example, 2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1Related Products of 4857-06-1)

2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1) binds to monoclonal antibodies, inhibiting their binding to their corresponding antigens. This activity may be due to its ability to bind covalently with amino groups on proteins and other molecules.Related Products of 4857-06-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《Temperature, Composition, and Alkyl Chain-Dependent Molecular Interactions between Imidazolium-Based Ionic Liquids with N-Methylaniline and N-Ethylaniline: Experimental and Theoretical Study》 was published in Journal of Chemical & Engineering Data in 2020. These research results belong to Master, Zubin; Malek, Naved I.. Synthetic Route of C8H15BF4N2 The article mentions the following:

Ionic liquids (ILs), an alternative to conventional mol. organic solvents, have attracted the attention of the scientific community because of their tunable unique physicochem. properties. Among the tested strategies, addition of co-solvents is the most convenient choice to alter the physicochem. properties of ILs for their industrial applications. In the present article, we have measured the d. (ρ), speeds of sound (u), and refractive index (nD) for six binary mixtures of N-methylaniline (NMA) and N-ethylaniline (NEA) + BmimBF4 + HmimBF4 + OmimBF4 over the entire range of composition and at temperatures ranging from 293.15 to 323.15 K at 5 K intervals and at atm. pressure. Excess molar volume (VmE), excess molar isentropic compressibility (Ks,mE), and deviation in the refractive index (ΔφnD) on volume fraction basis were calculated from these measured thermophys. properties. Influence of temperature on the excess and deviation properties has been studied. VmE, Ks,mE, and ΔφnD were fitted to the Redlich-Kister polynomial equation, and the parameters for the binary coefficients are reported. The influence of the alkyl chain length of ILs on the thermophys. properties of the mixtures of secondary amines was studied. We have discussed the intermol. interactions between the ILs and amine mols. using well-known arguments. We further predicted the refractive indexes of the studied mixtures using various mixing rules, and the resulting values have been compared with the exptl. values through the standard deviation. Exptl. calculated excess molar volumes have been compared with the predicted values of the Prigogine-Flory-Patterson theory and the extended real association model at 298.15 K. In the experiment, the researchers used many compounds, for example, 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate(cas: 174501-65-6Synthetic Route of C8H15BF4N2)

3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate(cas: 174501-65-6) is a member of lonic liquids. A multidisciplinary study on lonic liquids is emerging, including chemistry, materials science, chemical engineering, and environmental science. More specifically, some important fundamental viewpoints are now different from the original concepts, as insights into the nature of lonic liquids become deeper. For example, the physicochemical properties of lonic liquids are now recognized as ranging broadly from the oft quoted “nonvolatile, non-flammable, and air and water stable” to those that are distinctly volatile, flammable, and unstable. Synthetic Route of C8H15BF4N2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《Ambident Reactivity of Imidazolium Cations as Evidence of the Dynamic Nature of N-Heterocyclic Carbene-Mediated Organocatalysis》 was published in Chemistry – A European Journal in 2020. These research results belong to Galkin, Konstantin I.; Karlinskii, Bogdan Ya.; Kostyukovich, Alexander Yu.; Gordeev, Evgeniy G.; Ananikov, Valentine P.. HPLC of Formula: 141556-45-8 The article mentions the following:

This work reveals ambident nucleophilic reactivity of imidazolium cations towards carbonyl compounds at the C2 or C4 carbene centers depending on the steric properties of the substrates and reaction conditions. Such an adaptive behavior indicates the dynamic nature of organocatalysis proceeding via a covalent interaction of imidazolium carbenes with carbonyl substrates and can be explained by generation of the H-bonded ditopic carbanionic carbenes. In addition to this study using 1,3-Dimesityl-1H-imidazol-3-ium chloride, there are many other studies that have used 1,3-Dimesityl-1H-imidazol-3-ium chloride(cas: 141556-45-8HPLC of Formula: 141556-45-8) was used in this study.

1,3-Dimesityl-1H-imidazol-3-ium chloride(cas: 141556-45-8) is a ligand for arylation of aldehydes and for carbene catalyzed intermolecular arylation of C-H bonds. It is used as a phosphine-free ligand in various metal-catalyzed coupling reactions, often with advantageous results in difficult cases.HPLC of Formula: 141556-45-8

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《Effects of primary amine-based coatings on microglia internalization of nanogels》 was published in Colloids and Surfaces, B: Biointerfaces in 2020. These research results belong to Mauri, Emanuele; Veglianese, Pietro; Papa, Simonetta; Rossetti, Arianna; De Paola, Massimiliano; Mariani, Alessandro; Posel, Zbysek; Posocco, Paola; Sacchetti, Alessandro; Rossi, Filippo. Formula: C7H6N4O The article mentions the following:

Nanogels represent a pivotal class of biomaterials in the therapeutic intracellular treatment of many diseases, especially those involving the central nervous system (CNS). Their biocompatibility and synergy with the biol. environment encourage their cellular uptake, releasing the curative cargo in the desired area. As a main drawback, microglia are generally able to phagocytize any foreign element overcoming the blood brain barrier (BBB), including these materials, drastically limiting their bioavailability for the target cells. In this work, we investigated the opportunity to tune and therefore reduce nanogel internalization in microglia cultures, exploiting the orthogonal chem. functionalization with primary amine groups, as a surface coating strategy. Nanogels are designed by following two methods, the direct grafting of aliphatic primary amines and the linkage of -NH2 modified PEG on the nanogel surface. The latter synthesis was proposed to evaluate the combination of PEGylation with the basic nitrogen atom. The achieved results indicate the possibility of effectively modulating the uptake of nanogels, in particular limiting their internalization using the PEG-NH2 coating. This outcome could be considered a promising strategy for the development of carriers for drugs or gene delivery that could overcome microglia scavenging. In the experiment, the researchers used Di(1H-imidazol-1-yl)methanone(cas: 530-62-1Formula: C7H6N4O)

Di(1H-imidazol-1-yl)methanone(cas: 530-62-1) is a peptide coupling reagent,it is used in the synthesis of peptides. Reacts readily with carboxylic acids to form acyl imidazoles; subsequent reaction with amines to form amides goes smoothly.Formula: C7H6N4O

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《Assessment of risk for interference by circulating biotin in samples received for high sensitivity troponin-T, thyrotropin, and for prostate specific antigen testing by immunoassays》 was published in Clinical Laboratory (Mainz, Germany) in 2020. These research results belong to Nguyen, Khanh Q. N.; Langevin, Rachel; Fankhauser, Kimberly; Hashim, Ibrahim A.. Computed Properties of C10H16N2O3S The article mentions the following:

This study aims to examine the risk for biotin interference among our patient population. Serum and plasma leftover samples from 183 different patients were collected following completion of hs-TnT, TSH, and PSA testing. Aliquots were stored frozen at -20°C until anal. Biotin concentrations in these samples were measured using an ELISA (ALPCO, Salem, NH, USA) according to the manufacture’s protocol. Samples with biotin levels of 20 ng/mL or greater were considered as highrisk samples (HRS) for biotin interference. The overall concentrations of biotin in our patients’ samples ranged from 0.02 ng/mL to 11.38 ng/mL. The median and (range) biotin concentrations in hs-TnT, TSH, and PSA samples were 0.27 ng/mL (0.02 – 6.86 ng/mL), 0.39 ng/mL (0.08 – 11.38 ng/mL), and 0.47 ng/mL (0.09 – 7.73 ng/mL), resp. Although there was no significant difference between biotin levels in samples for TSH or PSA measurement (p – 0.85), biotin in samples for PSA and for hs-TnT and in samples for TSH and hs-TnT were significantly different (p = 0.049 and 0.089), resp. None of the samples had biotin levels greater than or equal to 20 ng/mL. Using representative samples with requests for hs-TnT, TSH, and PSA testing, where reliable performance for the selected assays at their lowest measurement range is required for clin. intervention, among our study population the risk was considered minimal as their circulating biotin levels were less than 20 ng/mL.5-((3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid(cas: 58-85-5Computed Properties of C10H16N2O3S) was used in this study.

5-((3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid(cas: 58-85-5) may be used to elute proteins from avidin/streptavidin resins. It has been used for culturing of oligodendrocytes.Computed Properties of C10H16N2O3S And it has been used for blocking endogenous biotin during immunohistology procedures.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《A survey-based study of physician practices regarding biotin supplementation.》 was published in The Journal of dermatological treatment in 2020. These research results belong to Waqas, Bukhtawar; Wu, Alan; Yim, Elizabeth; Lipner, Shari R. Computed Properties of C10H16N2O3S The article mentions the following:

Biotin is an important cofactor in several metabolic pathways in humans. Biotin deficiencies are quite uncommon and there is limited data to support recommending it to treat hair, skin, and nail conditions. A 2017 FDA safety alert warned that biotin can interfere with laboratory testing resulting in incorrect diagnoses and even death. Therefore, our study objectives were to assess biotin recommendation practices and survey physician knowledge of biotin interference in routine laboratory tests. In a national survey of 149 physicians, we found that 43.9% of physicians prescribe biotin, primarily for hair and nail disorders, and 39.5% recommended other biotin-containing supplements. Most physicians answered correctly that there are no randomized studies that biotin improves dermatological conditions, and that biotin interferes with thyroid and troponin testing. Few knew of interference with b-HCG, Hepatitis serology, HIV serology and Vitamin D levels, and 19.5% were unaware of any interference. Almost half of physicians did not ask patients to discontinue biotin prior to laboratory testing. Our study shows that physicians continue to prescribe biotin despite knowledge gaps about laboratory interference, and highlights the need for increasing physician awareness of risks and benefits of recommending biotin to treat skin, hair, and nail conditions. In the experiment, the researchers used 5-((3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid(cas: 58-85-5Computed Properties of C10H16N2O3S)

5-((3aS,4S,6aR)-2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoic acid(cas: 58-85-5) may be used to elute proteins from avidin/streptavidin resins. It has been used for culturing of oligodendrocytes.Computed Properties of C10H16N2O3S And it has been used for blocking endogenous biotin during immunohistology procedures.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

《Quantitative Analysis on Two-Point Ligand Modulation of Iridium Catalysts for Chemodivergent C-H Amidation》 was published in Journal of the American Chemical Society in 2020. These research results belong to Hwang, Yeongyu; Jung, Hoimin; Lee, Euijae; Kim, Dongwook; Chang, Sukbok. HPLC of Formula: 530-62-1 The article mentions the following:

The transition-metal-catalyzed nitrenoid transfer reaction is one of the most attractive methods for installing a new C-N bond into diverse reactive units. While numerous selective aminations are known, understanding complex structural effects of the key intermediates on the observed chemoselectivity is still elusive in most cases. Herein, we report a designing approach to enable selective nitrenoid transfer leading to sp2 spirocyclization and sp3 C-H insertion by cooperative two-point modulation of ligands in the CpXIr(III)(κ2-chelate) catalyst system. Computational anal. led us to interrogate structural motifs that can be attributed to the desired mechanistic dichotomy. Multivariate linear regression anal. on the perturbation on the η5-cyclopentadienyl ancillary (CpX) and LX coligand, wherein we prepared over than 40 new catalysts for screening, allowed for construction of an intuitive yet robust statistical model that predicts a large set of chemoselective outcomes, implying that the catalysts’ structural effects play a critical role on the chemoselective nitrenoid transfer. On the basis of this quant. anal., a new catalytic platform is now established for the unique lactam formation, leading to the unprecedented chemoselective reactivity (up to >20:1) toward a diverse array of competing sites, such as tertiary, secondary, benzylic, allylic C-H bonds, and aromatic π system. In the experimental materials used by the author, we found Di(1H-imidazol-1-yl)methanone(cas: 530-62-1HPLC of Formula: 530-62-1)

Di(1H-imidazol-1-yl)methanone(cas: 530-62-1) is a peptide coupling reagent,it is used in the synthesis of peptides. Reacts readily with carboxylic acids to form acyl imidazoles; subsequent reaction with amines to form amides goes smoothly.HPLC of Formula: 530-62-1

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Dziwornu, Godwin Akpeko; Coertzen, Dina; Leshabane, Meta; Korkor, Constance M.; Cloete, Cleavon K.; Njoroge, Mathew; Gibhard, Liezl; Lawrence, Nina; Reader, Janette; van der Watt, Mariette; Wittlin, Sergio; Birkholtz, Lyn-Marie; Chibale, Kelly published their research in Journal of Medicinal Chemistry in 2021. The article was titled 《Antimalarial Benzimidazole Derivatives Incorporating Phenolic Mannich Base Side Chains Inhibit Microtubule and Hemozoin Formation: Structure-Activity Relationship and In Vivo Oral Efficacy Studies》.Formula: C7H5ClN2 The article contains the following contents:

A novel series of antimalarial benzimidazole derivatives incorporating phenolic Mannich base side chains at the C2 position, which possess dual asexual blood and sexual stage activities, is presented. Structure-activity relationship studies revealed that the 1-benzylbenzimidazole analogs possessed submicromolar asexual blood and sexual stage activities in contrast to the 1H-benzimidazole analogs, which were only active against asexual blood stage (ABS) parasites. Further, the former demonstrated microtubule inhibitory activity in ABS parasites but more significantly in stage II/III gametocytes. In addition to being bona fide inhibitors of hemozoin formation, the 1H-benzimidazole analogs also showed inhibitory effects on microtubules. In vivo efficacy studies in Plasmodium berghei-infected mice revealed that the frontrunner compound 41(I) exhibited high efficacy (98% reduction in parasitemia) when dosed orally at 4 × 50 mg/kg. Generally, the compounds were noncytotoxic to mammalian cells. In addition to this study using 2-Chloro-1H-benzo[d]imidazole, there are many other studies that have used 2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1Formula: C7H5ClN2) was used in this study.

2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1) binds to monoclonal antibodies, inhibiting their binding to their corresponding antigens. This activity may be due to its ability to bind covalently with amino groups on proteins and other molecules.Formula: C7H5ClN2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem