Month: February 2023

Tetracoordinate borates as catalysts for reductive formylation of amines with carbon dioxide was written by Jiang, Xiaolin;Huang, Zijun;Makha, Mohamed;Du, Chen-Xia;Zhao, Dongmei;Wang, Fang;Li, Yuehui. And the article was included in Green Chemistry in 2020.COA of Formula: C8H8N2 This article mentions the following:

We report sodium trihydroxyaryl borates as the first robust tetracoordinate organoboron catalysts for reductive functionalization of CO2. These catalysts, easily synthesized from condensing boronic acids with metal hydroxides, activate main group element-hydrogen (E-H) bonds efficiently. In contrast to BX3 type boranes, boronic acids and metal-BAr4 salts, under transition metal-free conditions, sodium trihydroxyaryl borates exhibit high reactivity of reductive N-formylation toward a variety of amines (106 examples), including those with functional groups such as ester, olefin, hydroxyl, cyano, nitro, halogen, MeS-, ether groups, etc. The over-performance to catalyze formylation of challenging pyridyl amines affords a promising alternative method to the use of traditional formylation reagents. Mechanistic investigation supports electrostatic interactions as the key for Si/B-H activation, enabling alkali metal borates as versatile catalysts for hydroborylation, hydrosilylation, and reductive formylation/methylation of CO2. In the experiment, the researchers used many compounds, for example, 1-Methylbenzimidazole (cas: 1632-83-3COA of Formula: C8H8N2).

1-Methylbenzimidazole (cas: 1632-83-3) belongs to imidazole derivatives. Imidazole derivatives generally have good solubility in protic solvents. Simple imidazole derivatives, such as 1H-imidazole, 2-methyl-1H-imidazole, and 1,2-dimethylimidazole, have very high solubility in water. Imidazole derivatives have antibacterial, antifungal and anticancer functionality. It interacts with DNA and also binds to protein and stops cell division.COA of Formula: C8H8N2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Inhibiting early-stage events in HIV-1 replication by small-molecule targeting of the HIV-1 capsid was written by Kortagere, Sandhya;Madani, Navid;Mankowski, Marie K.;Schon, Arne;Zentner, Isaac;Swaminathan, Gokul;Princiotto, Amy;Anthony, Kevin;Oza, Apara;Sierra, Luz-Jeannette;Passic, Shendra R.;Wang, Xiaozhao;Jones, David M.;Stavale, Eric;Krebs, Fred C.;Martin-Garcia, Julio;Freire, Ernesto;Ptak, Roger G.;Sodroski, Joseph;Cocklin, Simon;Smith, Amos B. III. And the article was included in Journal of Virology in 2012.HPLC of Formula: 5496-35-5 This article mentions the following:

The HIV-1 capsid (CA) protein plays essential roles in both early and late stages of virl replication and has emerged as a novel drug target. We report hybrid structure-based virtual screening to identify small mols. with the potential to interact with the N-terminal domain (NTD) of HIV-1 CA and disrupt early, preintegration steps of the HIV-1 replication cycle. The small mol. 4,4′-[dibenzo[b,d]furan-2,8-diylbis(5-phenyl-1H-imidazole-4,2-diyl)]dibenzoic acid (CK026), which had anti-HIV-1 activity in single- and multiple-round infections but failed to inhibit viral replication in peripheral blood mononuclear cells (PBMCs), was identified. Three analogs of CK026 with reduced size and better drug-like properties were synthesized and assessed. Compound I-XW-053 (4-(4,5-diphenyl-1H-imidazol-2-yl)benzoic acid) retained all of the antiviral activity of the parental compound and inhibited the replication of a diverse panel of primary HIV-1 isolates in PBMCs, while displaying no appreciable cytotoxicity. This antiviral activity was specific to HIV-1, as I-XW-053 displayed no effect on the replication of SIV or against a panel of nonretroviruses. Direct interaction of I-XW-053 was quantified with wild-type and mutant CA protein using surface plasmon resonance and isothermal titration calorimetry. Mutation of Ile37 and Arg173, which are required for interaction with compound I-XW-053, crippled the virus at an early, preintegration step. Using quant. PCR, we demonstrated that treatment with I-XW-053 inhibited HIV-1 reverse transcription in multiple cell types, indirectly pointing to dysfunction in the uncoating process. In summary, we have identified a CA-specific compound that targets and inhibits a novel region in the NTD-NTD interface, affects uncoating, and possesses broad-spectrum anti-HIV-1 activity. In the experiment, the researchers used many compounds, for example, 4-(4,5-Diphenyl-1H-imidazol-2-yl)benzoic acid (cas: 5496-35-5HPLC of Formula: 5496-35-5).

4-(4,5-Diphenyl-1H-imidazol-2-yl)benzoic acid (cas: 5496-35-5) belongs to imidazole derivatives. Among the different heterocyclic compounds, imidazole is better known due to its broad range of chemical and biological properties. Imidazole has become an important synthon in the development of new drugs. Imidazole has been usedin the lysis, wash and elution buffer for the purification of histidine tagged Sonic Hedgehog(shh-N) protein, in elution buffer in stepwise gradient for the purification of histidine tagged aldo keto reductases using nickel affinity chromatography, as a component of homogenization buffer for the purification of phagosomal compartments from dendritic cells.HPLC of Formula: 5496-35-5

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Computationally guided high-throughput design of self-assembling drug nanoparticles was written by Reker, Daniel;Rybakova, Yulia;Kirtane, Ameya R.;Cao, Ruonan;Yang, Jee Won;Navamajiti, Natsuda;Gardner, Apolonia;Zhang, Rosanna M.;Esfandiary, Tina;L’Heureux, Johanna;von Erlach, Thomas;Smekalova, Elena M.;Leboeuf, Dominique;Hess, Kaitlyn;Lopes, Aaron;Rogner, Jaimie;Collins, Joy;Tamang, Siddartha M.;Ishida, Keiko;Chamberlain, Paul;Yun, DongSoo;Lytton-Jean, Abigail;Soule, Christian K.;Cheah, Jaime H.;Hayward, Alison M.;Langer, Robert;Traverso, Giovanni. And the article was included in Nature Nanotechnology in 2021.Related Products of 145040-37-5 This article mentions the following:

Nanoformulations of therapeutic drugs are transforming our ability to effectively deliver and treat a myriad of conditions. Often, however, they are complex to produce and exhibit low drug loading, except for nanoparticles formed via co-assembly of drugs and small mol. dyes, which display drug-loading capacities of up to 95%. There is currently no understanding of which of the millions of small-mol. combinations can result in the formation of these nanoparticles. Here we report the integration of machine learning with high-throughput experimentation to enable the rapid and large-scale identification of such nanoformulations. We identified 100 self-assembling drug nanoparticles from 2.1 million pairings, each including one of 788 candidate drugs and one of 2,686 approved excipients. We further characterized two nanoparticles, sorafenib-glycyrrhizin and terbinafine-taurocholic acid both ex vivo and in vivo. We anticipate that our platform can accelerate the development of safer and more efficacious nanoformulations with high drug-loading capacities for a wide range of therapeutics. In the experiment, the researchers used many compounds, for example, 1-(((Cyclohexyloxy)carbonyl)oxy)ethyl 1-((2′-(2H-tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate (cas: 145040-37-5Related Products of 145040-37-5).

1-(((Cyclohexyloxy)carbonyl)oxy)ethyl 1-((2′-(2H-tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate (cas: 145040-37-5) belongs to imidazole derivatives. The solubility of imidazoles in ethers is lower than that in alcohols and decreases with increasing chain length of the ethers . In contrast, the solubility of benzimidazoles in alcohols (C3鈥揅6) is higher than in water and generally decreases with a Imidazole based anticancer drug find applications in cancer chemotherapy. It is used as buffer component for purification of the histidine tagged recombinant proteins in immobilized metal-affinity chromatography (IMAC).Related Products of 145040-37-5

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Dialkylimidazolium dimethyl phosphates as solvents and catalysts for the Knoevenagel condensation reaction was written by Zicmanis, Andris;Anteina, Liene. And the article was included in Tetrahedron Letters in 2014.Reference of 21252-69-7 This article mentions the following:

The reaction between benzaldehyde and Et cyanoacetate is investigated in 1,3-dialkylimidazolium salts as solvents. The impact of both ions in these ionic liquids on the yield of the condensation reaction product is examined Potentiometric titrations are employed for quant. anal. of the best ionic liquids, revealing these to be 1,3-dialkylimidazolium di-Me phosphates. In the experiment, the researchers used many compounds, for example, 1-Octyl-1H-imidazole (cas: 21252-69-7Reference of 21252-69-7).

1-Octyl-1H-imidazole (cas: 21252-69-7) belongs to imidazole derivatives. Many natural products, especially alkaloids, contain the imidazole ring. These imidazoles share the 1,3-C3N2 ring but feature varied substituents. Imidazole has been usedin the lysis, wash and elution buffer for the purification of histidine tagged Sonic Hedgehog(shh-N) protein, in elution buffer in stepwise gradient for the purification of histidine tagged aldo keto reductases using nickel affinity chromatography, as a component of homogenization buffer for the purification of phagosomal compartments from dendritic cells.Reference of 21252-69-7

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Stability-indicating liquid chromatographic methods with photodiode array detection and light scattering detection for simultaneous determination of candesartan and hydrochlorothiazide was written by de Diego, Marta;Godoy, Ricardo;Mennickent, Sigrid;Vergara, Carola;Miranda, Daniel;Navarro, Pia. And the article was included in Journal of Chromatographic Science in 2018.Electric Literature of C33H34N6O6 This article mentions the following:

Development, validation and comparison of two stability-indicating LC methods, one with photodiode array detector (DAD) and the other with evaporative light scattering detector (ELSD), were performed for simultaneous determination of candesartan cilexetil (CANC) and hydrochlorothiazide (HCTZ), in pharmaceutical samples. A RP-18 column (125mm 脳 4 mm, 5 渭m) was used for separation of CANC, HCTZ and its major degradation products, using acetonitrile and phosphate buffer (pH 6.0) for DAD method and acetonitrile and water with acetic acid and triethylamine (pH 4.1) for ELSD method, as mobile phase in a gradient mode. The response with ELSD was fitted to a power function and the DAD response by a linear model over a range of 32-160 渭g/mL for CANC and 25-125 渭g/mL for HCTZ. The precision and accuracy of the methods were similar, with RSD below 3.0% and recovery between 98.1% and 103.9%. The drugs were subjected to stress conditions of hydrolysis, oxidation, photolysis, humidity and temperature The degradation products were satisfactory separated from the main peaks and from each other. Both drugs mainly degrade by hydrolysis, showing the formation of one degradation product for HCTZ and two for CANC; its identification was conducted by LC/MS/MS. The methods were successfully applied to the anal. of CANC and HCTZ in combined com. tablets. The performance of DAD and ELSD methods are comparable, therefore both methods are suitable for stability study and determination of CANC and HCTZ in pharmaceutical samples. In the experiment, the researchers used many compounds, for example, 1-(((Cyclohexyloxy)carbonyl)oxy)ethyl 1-((2′-(2H-tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate (cas: 145040-37-5Electric Literature of C33H34N6O6).

1-(((Cyclohexyloxy)carbonyl)oxy)ethyl 1-((2′-(2H-tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate (cas: 145040-37-5) belongs to imidazole derivatives. Many natural products, especially alkaloids, contain the imidazole ring. These imidazoles share the 1,3-C3N2 ring but feature varied substituents. The pharmacophore of imidazole exists in bioactive compounds including amino acids, plant growth regulators and therapeutic agents.n increase of the alkyl chain length of the alcohols. Electric Literature of C33H34N6O6

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Ru@PsIL-Catalyzed Synthesis of N-Formamides and Benzimidazole by using Carbon Dioxide and Dimethylamine Borane was written by Saptal, Vitthal B.;Sasaki, Takehiko;Bhanage, Bhalchandra M.. And the article was included in ChemCatChem in 2018.Reference of 4887-83-6 This article mentions the following:

The synthesis and characterization of ruthenium nanoparticles (Ru NPs) supported on polymeric ionic liquids (PILs) was reported. This catalyst showed high catalytic activity towards the N-formylation of amines and synthesis of benzimidazoles from 1,2-diamines and carbon dioxide (CO₂) by reductive dehydrogenation of dimethylamine borane. This methodol. showed excellent functional group tolerance with broad substrate scope towards the synthesis of N-formamides and benzimidazoles. Interestingly, this protocol also provided the tandem reduction of 2-nitroamines and CO₂ to synthesize benzimidazoles. It was proposed that the ionic liquid phase of the polymer played pivotal roles such as assisting the stabilization of nanoparticles electrostatically, providing an ionic environment, and controlling the easy access of the substrates/reagents to the active sites. The developed methodol. utilized CO₂ as a C₁ source and water/ethanol as a green solvent system. Addnl., the catalyst was found to be recyclable in nature and showed five consecutive recycling runs without significant loss in its activity. In the experiment, the researchers used many compounds, for example, 7-Methyl-1H-benzo[d]imidazole (cas: 4887-83-6Reference of 4887-83-6).

7-Methyl-1H-benzo[d]imidazole (cas: 4887-83-6) belongs to imidazole derivatives. The solubility of imidazoles in ethers is lower than that in alcohols and decreases with increasing chain length of the ethers . In contrast, the solubility of benzimidazoles in alcohols (C3鈥揅6) is higher than in water and generally decreases with a The pharmacophore of imidazole exists in bioactive compounds including amino acids, plant growth regulators and therapeutic agents.n increase of the alkyl chain length of the alcohols. Reference of 4887-83-6

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Radiosensitizing, toxicological, and pharmacokinetic properties of hydroxamate analogs of nitroimidazoles as bifunctional radiosensitizers/chemical modifiers was written by Nagasawa, Hideko;Bando, Masahiro;Hori, Hitoshi;Satoh, Tetsuo;Tada, Takuhito;Onoyama, Yasuto;Inayama, Seiichi. And the article was included in International Journal of Radiation Oncology, Biology, Physics in 1992.Category: imidazoles-derivatives This article mentions the following:

The pharmacokinetics were examined of KIH-802, potassium 2-nitroimidazole-1-acetohydroxamate, using its radioisotope-labeled compound and the acute toxicity in mice. The concentration of KIH-802 was very low in the brain and its LD₅₀ was nearly half the value of that of MISO. Here, new 2-nitroimidazole radiosensitizers/chem. modifiers (KIN-804, 811, 831, 841, 844, 821, 823 and 824) were designed to enhance their sensitizing ability intensely by substituting various biol. active groups, such as hydroxamic acids and oximes, with moderate lipophilicity to the aromatic ring, if necessary, through some spacers. The sensitizing effects of all compounds were estimated to be almost equal to or better than that of MISO. The results of their toxicities shows that new hydroxamates KIN-804 and 831 are less toxic than KIH-802 and MISO. Their in vitro enhancement ratios are 2.00 and 1.75, resp., compared with those of KIH-802, MISO and SR-2508, 1.77, 1.72 and 1.72, resp., at each dose of 1 mM for EMT6/KU single cell. It is concluded that they hydroxamic acid analogs to KIH-802 may be superior radiosensitizers. In the experiment, the researchers used many compounds, for example, 2-(2-Nitro-1H-imidazol-1-yl)acetic acid (cas: 22813-32-7Category: imidazoles-derivatives).

2-(2-Nitro-1H-imidazol-1-yl)acetic acid (cas: 22813-32-7) belongs to imidazole derivatives. Many natural products, especially alkaloids, contain the imidazole ring. These imidazoles share the 1,3-C3N2 ring but feature varied substituents. Imidazole has been usedin the lysis, wash and elution buffer for the purification of histidine tagged Sonic Hedgehog(shh-N) protein, in elution buffer in stepwise gradient for the purification of histidine tagged aldo keto reductases using nickel affinity chromatography, as a component of homogenization buffer for the purification of phagosomal compartments from dendritic cells.Category: imidazoles-derivatives

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

The relationship between the binding of 2-n-alkylbenzimidazoles to rat hepatic microsomal cytochrome P 450 and the inhibition of monooxygenation was written by Dickins, Maurice;Bridges, James W.. And the article was included in Biochemical Pharmacology in 1982.Category: imidazoles-derivatives This article mentions the following:

The binding of an homologous series of 2-n-alkylbenzimidazoles to cytochrome聽P聽450聽聽[9035-51-2] in control, phenobarbitone-, or 20-methylcholanthrene-induced rat hepatic microsomal preparations produced Type I, Type RI, and mixed Type I/RI spectra. Alkyl chain length affected spectral type, as did substrate concentration and microsomal source. An optimal chain length of C₇-C₈ was observed for Type I binding, longer side chains decreasing the affinity. The apparent spectral binding constants for the Type I site only were closely associated with the K_i and I₅₀ values for the inhibition of cytochrome P 450-dependent monooxygenation. From their inhibition properties, even the short chain substituted benzimidazoles also appeared to bind to the Type I site and thus compete for the substrate binding site of cytochrome P 450. In the experiment, the researchers used many compounds, for example, 2-Octylbenzimidazole (cas: 13060-24-7Category: imidazoles-derivatives).

2-Octylbenzimidazole (cas: 13060-24-7) belongs to imidazole derivatives. The solubility of imidazoles in ethers is lower than that in alcohols and decreases with increasing chain length of the ethers . In contrast, the solubility of benzimidazoles in alcohols (C3鈥揅6) is higher than in water and generally decreases with a Imidazole also acts as a microtubule destabilizing agents and inhibits topoisomerase and Cytochrome P450 Family 26 Subfamily A Member 1 (CYP26A1) enzymes.Category: imidazoles-derivatives

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Understanding the interaction between Soluplus and biorelevant media components was written by Pinto, Juliana Munari Oliveira;Rengifo, Andres Felipe Chamorro;Mendes, Cassiana;Leao, Aline Franciane;Parize, Alexandre Luis;Stulzer, Hellen Karine. And the article was included in Colloids and Surfaces, B: Biointerfaces in 2020.SDS of cas: 145040-37-5 This article mentions the following:

Soluplus (polyvinyl caprolactam-polyvinyl acetate-polyethylene glycol graft copolymer) is a solubilizing copolymer commonly applied as carrier in solid dispersions of poorly soluble drugs. This polymer is used to increase the apparent solubility of drugs with low aqueous solubility and consequently enhance drug absorption by the human gastrointestinal tract. To select the appropriate carrier to compose solid dispersions, in vitro supersaturation studies were applied as a pre-formulation tool, using different dissolution media. During in vitro supersaturation studies performed for the poorly soluble drug candesartan cilexetil, it was found that Soluplus may interact with components of the biorelevant medium Fasted State Simulated Intestinal Fluid, lowering the drug apparent solubility Dynamic Light Scattering and Transmission Electron Microscopy analyses were performed, as well as fluorescence measurements, aiming to characterize the interaction behavior and determine the polarity of the microenvironment. It was evidenced that Soluplus interacted preferentially with lecithin, forming mixed micelles with a more polar microenvironment, which lowered the candesartan cilexetil solubilization capacity and consequently reduced its apparent solubility in the biorelevant medium. These findings are important to emphasize the key role of the media selection for in vitro solubility-supersaturation studies, where media that could mimic the human gastrointestinal environment are recommended. In the experiment, the researchers used many compounds, for example, 1-(((Cyclohexyloxy)carbonyl)oxy)ethyl 1-((2′-(2H-tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate (cas: 145040-37-5SDS of cas: 145040-37-5).

1-(((Cyclohexyloxy)carbonyl)oxy)ethyl 1-((2′-(2H-tetrazol-5-yl)-[1,1′-biphenyl]-4-yl)methyl)-2-ethoxy-1H-benzo[d]imidazole-7-carboxylate (cas: 145040-37-5) belongs to imidazole derivatives. The solubility of imidazoles in ethers is lower than that in alcohols and decreases with increasing chain length of the ethers . In contrast, the solubility of benzimidazoles in alcohols (C3鈥揅6) is higher than in water and generally decreases with a Imidazole derivatives have antibacterial, antifungal and anticancer functionality. It interacts with DNA and also binds to protein and stops cell division.SDS of cas: 145040-37-5

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

Small-angle neutron scattering from mixtures of long- and short-chain 3-alkyl-1-methyl imidazolium bistriflimides was written by Cabry, Christopher P.;D’Andrea, Lucia;Elstone, Naomi S.;Kirchhecker, Sarah;Riccobono, Alessio;Khazal, Iman;Li, Peixun;Rogers, Sarah E.;Bruce, Duncan W.;Slattery, John M.. And the article was included in Physical Chemistry Chemical Physics in 2022.Category: imidazoles-derivatives This article mentions the following:

The preparation of mixtures of ionic liquids (ILs) represents an attractive strategy to tune their properties, an important aspect of which is to understand how the structure of the bulk varies with composition In this study, small-angle neutron scattering (SANS) was used to probe mixtures of methylimidazolium-based ionic liquids [C_nmim][Tf₂N] with [C₂mim][Tf₂N] (n = 4, 6, 8 and 10) and of [C_mmim][Tf₂N] with [C₁₂mim][Tf₂N] (m = 2, 4, 6 and 8). Mixtures were prepared in both contrasts, which is to say that one component would be fully hydrogenated while the other was fully deuterated, and vice versa. Data were fitted using a range of appropriate models, of which the Teubner-Strey model provided most useful information and the pure materials showed a nascent Polar Non-polar Peak (PNPP) for n = 6, which became more evident as n increased. In the mixtures [C_nmim]_x[C₂mim]_1-x[Tf₂N], the PNPP was evident for n = 10 and 8, nascent for n = 6 and absent for n = 4, with percolation showing a very strong dependence on the chain length of the added IL, [C_nmim][Tf₂N]. In contrast, while the ability of [C₁₂mim][Tf₂N] to form percolated structures was damped when mixed with [C_mmim][Tf₂N], as m increased from 2 to 6, this effect was less strong. However, data obtained for mixtures of [C₁₂mim][Tf₂N] and [C₈mim][Tf₂N], both of which percolate as pure materials, did not fit easily in any of the models applied to the previous systems and gave results that depended on the contrast used. Complementary small-angle X-ray scattering (SAXS) data, however, showed the expected evolution and behavior of the PNPP, COP and CP, revealing that the unexpected observations were due to an adventitious matching out of isotopic contrasts. As well as revealing details of the structures of these IL mixtures, the results also point to complementary strategies for generating bulk percolated structures as a function of cation chain length. In the experiment, the researchers used many compounds, for example, 3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide (cas: 404001-48-5Category: imidazoles-derivatives).

3-Dodecyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide (cas: 404001-48-5) belongs to imidazole derivatives. Imidazole is a heterocyclic compound with a five-membered planar ring. It is amphoteric and highly polar. Many drugs contain an imidazole ring, such as certain antifungal drugs, the nitroimidazole series of antibiotics, and the sedative midazolam.Category: imidazoles-derivatives

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem