Author: Jessica.F

Computed Properties of C8H5N3On October 10, 2016 ,《Expanding Synthesizable Space of Disubstituted 1,2,4-Oxadiazoles》 was published in ACS Combinatorial Science. The article was written by Tolmachev, Andrey; Bogolubsky, Andrey V.; Pipko, Sergey E.; Grishchenko, Alexander V.; Ushakov, Dmytro V.; Zhemera, Anton V.; Viniychuk, Oleksandr O.; Konovets, Anzhelika I.; Zaporozhets, Olga A.; Mykhailiuk, Pavel K.; Moroz, Yurii S.. The article contains the following contents:

One-pot synthesis of 3,5-disubstituted 1,2,4-oxadiazoles from carboxylic acids and nitriles was optimized to parallel chem. The method was validated on a 141 member library; the desired products were recovered with a high success rate and in moderate yields. Practical application of the approach was demonstrated in the synthesis of bioactive compound pifexole, I, and agonists of free fatty acid receptor 1. A library of 4,948,100 synthesizable drug-like 3,5-disubstituted 1,2,4-oxadiazoles was enumerated based on the method and available validated reagents. The results came from multiple reactions, including the reaction of Imidazo[1,2-a]pyridine-8-carbonitrile(cas: 136117-70-9Computed Properties of C8H5N3)

Imidazo[1,2-a]pyridine-8-carbonitrile(cas: 136117-70-9) belongs to imidazoles.Imidazole rings are part of unnatural cyclic peptides and are used as ester isosteres in peptidomimetic studies.
Computed Properties of C8H5N3 However, the application of imidazoles is not limited to the field of peptides and peptidomimetics.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 1965,Nature (London, United Kingdom) included an article by Burton, D. E.; Lambie, A. J.; Ludgate, J. C. L.; Newbold, G. T.; Percival, A.; Saggers, D. T.. Recommanded Product: 3671-65-6. The article was titled 《2-Trifluoromethylbenzimidazoles: a new class of herbicidal compounds》. The information in the text is summarized as follows:

The herbicidal activity of 2-trifluoromethylbenzimidazoles was studied on postemergent and preemergent peas (Pisum sativum), mustard (Sinapis alba), linseed (Linum usitatissimum), beet (Beta vulgaris), buckwheat (Fagopyrum esculentum), and barley (Hordeum vulgare); mammalian toxicity was studied in rats. The herbicidal activity of 2-trifluoromethylbenzimidazole was enhanced by 5-halo substitution, the order of activity being iodo and bromo > chloro > fluoro. 5-Cyano-2-trifluoromethylbenzimidazole, 5-nitro-2-trifluoromethylbenzimidazole, and 5-trifluoromethyl-2-trifluoromethylbenzimidazole had the same overall activity as 5-iodo-2-trifluoromethylbenzimidazole. 5 – Methyl -2 – trifluoromethylbenzimidazole, 5-methoxy-2-trifluoromethylbenzimidazole, and 5-amino-2-trifluoromethylbenzimidazole were as active as the parent compound Variation in species specificity with slight modification to structure was observed in the halogen series, where selectivity in favor of peas increased 4-fold from the 5-fluoro to the 5-iodo derivatives, the reverse occurring in the case of barley. Mammalian toxicity tended to follow the herbicidal activity with the exception that the 5-iodo and 5-bromo compounds had a lower mammalian toxicity than 5-chloro-2-trifluoromethylbenzimidazole. Compounds with good herbicidal activity had pKa values of 5-8, with the exception of 5-tert-butyl-2-trifluoromethylbenzimidazole. The preemergent activity of 2-trifluoromethylbenzimidazoles was significant but of less interest. The experimental process involved the reaction of 6-Methoxy-2-(trifluoromethyl)-1H-benzo[d]imidazole(cas: 3671-65-6Recommanded Product: 3671-65-6)

6-Methoxy-2-(trifluoromethyl)-1H-benzo[d]imidazole(cas: 3671-65-6) belongs to imidazoles.Although other azole heterocycles are ubiquitous in a wide range of biologically active natural products, imidazole rings occur predominantly in the natural amino acid histidine. Recommanded Product: 3671-65-6 In addition, imidazole rings are part of unnatural cyclic peptides and are used as ester isosteres in peptidomimetic studies.

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 1978,Kirk, Kenneth L. published 《Facile synthesis of 2-substituted imidazoles》.Journal of Organic Chemistry published the findings.HPLC of Formula: 16681-56-4 The information in the text is summarized as follows:

Imidazoles I (R = H, R1 = Br, iodo, Cl, Me, CO2Et, CHO, NH2) were prepared by treating 1-trityl-2-lithioimidazole (I, R = Ph3C, R1 = Li) with an appropriate electrophile followed by detritylation with acid. The experimental process involved the reaction of 2-Bromo-1H-imidazole(cas: 16681-56-4HPLC of Formula: 16681-56-4)

2-Bromo-1H-imidazole(cas: 16681-56-4) is a member of imidazole. Its exclusive structural characteristics with enviable electron-rich features are favorable for imidazole-based fused heterocycles to bind efficiently with an array of enzymes and receptors in biological systems through various weak interactions like hydrogen bonds, ion-dipole, cation-π, π-π stacking, coordination, Van der Waals forces, hydrophobic effects, etc., and therefore they demonstrate widespread bioactivities. HPLC of Formula: 16681-56-4

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2015,Gazzard, Lewis; Williams, Karen; Chen, Huifen; Axford, Lorraine; Blackwood, Elizabeth; Burton, Brenda; Chapman, Kerry; Crackett, Peter; Drobnick, Joy; Ellwood, Charles; Epler, Jennifer; Flagella, Michael; Gancia, Emanuela; Gill, Matthew; Goodacre, Simon; Halladay, Jason; Hewitt, Joanne; Hunt, Hazel; Kintz, Samuel; Lyssikatos, Joseph; Macleod, Calum; Major, Sarah; Medard, Guillaume; Narukulla, Raman; Ramiscal, Judi; Schmidt, Stephen; Seward, Eileen; Wiesmann, Christian; Wu, Ping; Yee, Sharon; Yen, Ivana; Malek, Shiva published 《Mitigation of Acetylcholine Esterase Activity in the 1,7-Diazacarbazole Series of Inhibitors of Checkpoint Kinase 1》.Journal of Medicinal Chemistry published the findings.SDS of cas: 16681-56-4 The information in the text is summarized as follows:

Checkpoint kinase 1 (ChK1) plays a key role in the DNA damage response, facilitating cell-cycle arrest to provide sufficient time for lesion repair. This leads to the hypothesis that inhibition of ChK1 might enhance the effectiveness of DNA-damaging therapies in the treatment of cancer. Lead compound 1 (GNE-783), the prototype of the 1,7-diazacarbazole class of ChK1 inhibitors, was found to be a highly potent inhibitor of acetylcholine esterase (AChE) and unsuitable for development. A campaign of analog synthesis established SAR delineating ChK1 and AChE activities and allowing identification of new leads with improved profiles. In silico docking using a model of AChE permitted rationalization of the observed SAR. Compounds 19 (GNE-900) and 30 (GNE-145) were identified as selective, orally bioavailable ChK1 inhibitors offering excellent in vitro potency with significantly reduced AChE activity. In combination with gemcitabine, these compounds demonstrate an in vivo pharmacodynamic effect and are efficacious in a mouse p53 mutant xenograft model. In the part of experimental materials, we found many familiar compounds, such as 2-Bromo-1H-imidazole(cas: 16681-56-4SDS of cas: 16681-56-4)

2-Bromo-1H-imidazole(cas: 16681-56-4) is a member of imidazole. Its exclusive structural characteristics with enviable electron-rich features are favorable for imidazole-based fused heterocycles to bind efficiently with an array of enzymes and receptors in biological systems through various weak interactions like hydrogen bonds, ion-dipole, cation-π, π-π stacking, coordination, Van der Waals forces, hydrophobic effects, etc., and therefore they demonstrate widespread bioactivities. SDS of cas: 16681-56-4

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2018,Martin, Sara E.; Nguyen, Catherine M.; Basaraba, Randall J.; Melander, Christian published 《Analogue synthesis reveals decoupling of antibiofilm and β-lactam potentiation activities of a lead 2-aminoimidazole adjuvant against Mycobacterium smegmatis》.Chemical Biology & Drug Design published the findings.Product Details of 7720-39-0 The information in the text is summarized as follows:

Biofilm formation is one of the many mechanisms bacteria utilize to survive antibiotic treatment. It has been demonstrated that when Mycobacterium tuberculosis exists in a biofilm in vitro, it expresses phenotypic resistance to antimicrobial drugs. As the in vivo survival of M. tuberculosis following drug treatment is potentially linked to a biofilm-like expression of drug tolerance, it is hypothesized that biofilm dispersion should increase antibiotic susceptibility and reduce the duration of the current antibiotic treatment regimen. Previously, we have identified a 2-aminoimidazole (2-AI) compound capable of dispersing and inhibiting M. tuberculosis and M. smegmatis biofilms in vitro. Addnl., this compound potentiated the activity of carbenicillin against M. tuberculosis and, to a lesser degree, M. smegmatis. Here, we describe a SAR study on this compound evaluating each derivative for biofilm dispersion and β-lactam potentiation capabilities against M. smegmatis. This study identified a compound that improved upon the biofilm dispersion capabilities of the lead compound Interestingly, a different compound was identified with an increased ability to potentiate a subset of β-lactam antibiotics. These compounds indicate that biofilm dispersion and potentiation capabilities may not be associated In the experimental materials used by the author, we found 1H-Imidazol-2-amine(cas: 7720-39-0Product Details of 7720-39-0)

1H-Imidazol-2-amine(cas: 7720-39-0) belongs to anime. Large quantities of aliphatic amines are made synthetically. The most widely used industrial method is the reaction of alcohols with ammonia at a high temperature, catalyzed by metals or metal oxide catalysts (e.g., nickel or copper). Mixtures of primary, secondary, and tertiary amines are thereby produced.Product Details of 7720-39-0

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2018,Sakata, Yosuke; Yabunaka, Kosuke; Kobayashi, Yuko; Omiya, Hirohisa; Umezawa, Naoki; Kim, Hye-Sook; Wataya, Yusuke; Tomita, Yoshimi; Hisamatsu, Yosuke; Kato, Nobuki; Yagi, Hirokazu; Satoh, Tadashi; Kato, Koichi; Ishikawa, Haruto; Higuchi, Tsunehiko published 《Potent Antimalarial Activity of Two Arenes Linked with Triamine Designed To Have Multiple Interactions with Heme》.ACS Medicinal Chemistry Letters published the findings.COA of Formula: C7H5ClN2 The information in the text is summarized as follows:

Based on the idea that compounds designed to exhibit high affinity for heme would block hemozoin formation, a critical heme-detoxification process for malarial parasites, we synthesized a series of compounds with two π-conjugated moieties at terminal amino groups of triamine. These compounds exhibited moderate to high antimalarial activities in vitro toward both chloroquine-sensitive and chloroquine-resistant Plasmodium falciparum. In a P. berghei-infected mouse model, 3a and 12a showed potent antimalarial activities compared to artesunate, as well as a prolonged duration of antimalarial effect. We found a good correlation between protective activity against hemin degradation and antimalarial activity. Compounds 8b and 3a strongly inhibited hemozoin formation catalyzed by heme detoxification protein. After reading the article, we found that the author used 2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1COA of Formula: C7H5ClN2)

2-Chloro-1H-benzo[d]imidazole(cas: 4857-06-1) is an analog of benzimidazole that has been synthesized by Langmuir adsorption isotherm. It is a white crystalline solid that can be dissolved in water and hydrochloric acid. 2-Chloro-1H-benzo[d]imidazole inhibits the growth of herpes simplex virus by acting as a competitive inhibitor for the viral enzyme thymidine kinase, which catalyzes the conversion of thymine to thymidine.COA of Formula: C7H5ClN2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2019,Letters in Organic Chemistry included an article by Nematpour, Manijeh; Abedi, Elham; Abedi, Elahe. HPLC of Formula: 934-32-7. The article was titled 《A Novel One-pot Protocol for the Cu-Catalyzed Synthesis of Nine 2-Aminobenzimidazole Derivatives from o-Phenylenediamine and Trichloroacetonitrile》. The information in the text is summarized as follows:

The synthesis of a variety of 2-aminobenzimidazoles I (R = H, Me, OMe, Cl, Br; R1 = H, Me, Cl; X = Y = CH, N) via one-pot reaction of o-phenylenediamine and trichloroacetonitrile catalyzed by copper (II) acetate in THF at room temperature, with good yields is described. Use of simple and readily available starting materials, good to high yields, free ligand, and ease of purification procedure are important features of this protocol. After reading the article, we found that the author used 1H-Benzo[d]imidazol-2-amine(cas: 934-32-7HPLC of Formula: 934-32-7)

1H-Benzo[d]imidazol-2-amine(cas: 934-32-7) can be used in the hydrolysis of a choline carbonate. It was also used in the synthesis of imidazo[1,2-a]benzimidazoles.HPLC of Formula: 934-32-7

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2019,Organic Electronics included an article by Shanmugasundaram, Kanagaraj; John, Jino C.; Chitumalla, Srimai; Jang, Joonkyung; Choe, Youngson. Product Details of 616-47-7. The article was titled 《Carbazole based ionic small molecule emitter for non-doped light-emitting electrochemical cells》. The information in the text is summarized as follows:

Great efforts have been made to develop blue emitting organic small mols. for light-emitting electrochem. cells. Herein, blue emitting CPC (CarPhenCar) was synthesized and its emissive properties were studied. CPC exhibits blue fluorescence in toluene solution as well as in solid thin-films. CPC exhibits good thermal and electrochem. stabilities. Application of CPC mol. in solution processed light-emitting electrochem. cells resulted blue emission centered at 485 nm with brightness of 454 cd/m2, current efficiencies of 1.33 cd/A and external quantum efficiencies of 1.76%. These results adequately demonstrate the practicability of tuning the emission color of phenothiazine derivative into blue region. In the experimental materials used by the author, we found 1-Methyl-1H-imidazole(cas: 616-47-7Product Details of 616-47-7)

1-Methyl-1H-imidazole(cas: 616-47-7) is actively involved in removing acid during the production of diethoxyphenylphosphine. It is used as an intermediate in organic synthesis.Product Details of 616-47-7

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

In 2019,Journal of Applied Polymer Science included an article by Huo, Pengfei; Xun, Zhiyu; Ni, Shoupeng; Liu, Yang; Wang, Guibin; Gu, Jiyou. COA of Formula: C4H6N2. The article was titled 《Crosslinked quaternized poly(arylene ether sulfone) copolymer membrane applied in an electric double-layer capacitor for high energy density》. The information in the text is summarized as follows:

The low energy d. of supercapacitors, especially supercapacitors based on aqueous electrolytes, is the main factor limiting their application, and the energy d. is closely related to the operating potential window of the supercapacitor. The polymer electrolyte is the main contributor to the safe operation and good ion conductivity of the supercapacitor. In this study, a crosslinked quaternized poly(arylene ether sulfone) (PAES) membrane was prepared via crosslinking during membrane formation with a thermal-only treatment and applied in an elec. double-layer capacitor (EDLC). The pre-prepared PAES membrane formed a polymer electrolyte with 1 mol/L Li2SO4 and was then fabricated into an EDLC single cell. The properties of both the membrane and ELDC were investigated. The preferred cPAES-N-0.2 polymer electrolyte showed an ionic conductivity of 1.18 mS/cm. The optimized EDLC exhibited a single-electrode gravimetric capacitance of 104.92 F/g at a c.d. of 1.0 A/g and a high operating potential window (1.5 V); it, thereby, achieved a high energy d. of 8.20 W h/kg. The EDLC also exhibited excellent cycling properties over 3000 charge-discharge cycles. The crosslinked structures promoted the tensile strength and thermal stability of the PAES membranes; this was accompanied by a slight decrease in the ionic conductivity In the part of experimental materials, we found many familiar compounds, such as 1-Methyl-1H-imidazole(cas: 616-47-7COA of Formula: C4H6N2)

1-Methyl-1H-imidazole(cas: 616-47-7) is actively involved in removing acid during the production of diethoxyphenylphosphine. It is used as an intermediate in organic synthesis.COA of Formula: C4H6N2

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem

The author of 《Insights on [BMIM][BF4] and [BMIM][PF6] ionic liquids and their binary mixtures with acetone and acetonitrile》 were Trenzado, J. L.; Gutierrez, A.; Alcalde, R.; Atilhan, M.; Aparicio, S.. And the article was published in Journal of Molecular Liquids in 2019. Recommanded Product: 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate The author mentioned the following in the article:

The properties of ionic liquid plus acetone or acetonitrile mixtures were studied from the macro and microscopic levels by the measurement of relevant thermophys. properties and through mol. modeling studies. The liquid mixtures were considered in the whole composition range and analyzed in terms of possible hydrogen bonding between the ions and ions with the mol. solvents. The reported results show how the large non-ideality of these systems stands on the high affinity of acetone and acetonitrile for the imidazolium hydrogen bond donor sites, which allow competition with the corresponding anions for these sites specially but not limited to mol. solvent rich mixtures The reported results allow to quantify the relevance of hydrogen bonding for the properties of ionic liquid – mol. solvent mixtures, which can be fine-tuned through the amounts of cosolvent present in the mixture as a mechanism to control mixed fluids organization. In addition to this study using 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate, there are many other studies that have used 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate(cas: 174501-65-6Recommanded Product: 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate) was used in this study.

3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate(cas: 174501-65-6) is a member of lonic liquids. Actually, lonic liquids as innovative fluids have received wide attention only during the past two decades. The number of SCI papers published on lonic liquids has exponentially increased from a few in 1996 to >5000 in 2016, exceeding the annual growth rates of other popular scientific areas. Recommanded Product: 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate

Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem