Design, synthesis, and biological evaluation of a new series of pyrazole derivatives: Discovery of potent and selective JNK3 kinase inhibitors

Rabah, Reinad R Abu; Sebastian, Anusha; Srinivasulu, Vunnam; Sultan, Shaista; Tarazi, Hamadeh; Anbar, Hanan S.; Shehata, Mahmoud K.; Zaraei, Seyed–Omar; Elgendy, Sara M.; Shamma, Salma A. Al; Omar, Hany A.; Al‐Tel, Taleb H.; El–Gamal, Mohammed I.

doi:10.1016/j.bmc.2022.116894

Cited by 5 publications

(2 citation statements)

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“…Among these multidentate ligands, symmetrical triazine (s-triazine) derivatives are promising due to their diverse biological effects and powerful pharmacological properties [39][40][41][42][43]. Moreover, substances containing pyrazoles are considered effective biological agents [44][45][46]. Among s-triazine derivatives, the 2,4-bis(3,5dimethyl-1H-pyrazol-1-yl)-6-methoxy-1,3,5-triazine (bpmt) ligand has been extensively studied by our research team for many reasons [4,[47][48][49][50][51][52][53][54][55][56][57].…”

Section: Introductionmentioning

confidence: 99%

A Novel Na(I) Coordination Complex with s-Triazine Pincer Ligand: Synthesis, X-ray Structure, Hirshfeld Analysis, and Antimicrobial Activity

Yousri,

El-Faham,

Haukka

et al. 2023

Crystals

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The pincer ligand 2,4-bis(3,5-dimethyl-1H-pyrazol-1-yl)-6-methoxy-1,3,5-triazine (bpmt) was used to synthesize the novel [Na(bpmt)2][AuCl4] complex through the self-assembly method. In this complex, the Na(I) ion is hexa-coordinated with two tridentate N-pincer ligands (bpmt). The two bpmt ligand units are meridionally coordinated to Na(I) via one short Na-N(s-triazine) and two slightly longer Na-N(pyrazole) bonds, resulting in a distorted octahedral geometry around the Na(I) ion. In the coordinated bpmt ligand, the s-triazine core is not found to be coplanar with the two pyrazole moieties. Additionally, the two bpmt units are strongly twisted from one another by 64.94°. Based on Hirshfeld investigations, the H···H (53.4%) interactions have a significant role in controlling the supramolecular arrangement of the [Na(bpmt)2][AuCl4] complex. In addition, the Cl···H (12.2%), C···H (11.5%), N···H (9.3%), and O···H (4.9%) interactions are significant. Antimicrobial investigations revealed that the [Na(bpmt)2][AuCl4] complex has promising antibacterial and antifungal activities. The [Na(bpmt)2][AuCl4] complex showed enhanced antibacterial activity for the majority of the studied gram-positive and gram-negative bacteria compared to the free bpmt (MIC = 62.5–125 µg/mL vs. MIC = 62.5–500 µg/mL, respectively) and Amoxicillin (MIC > 500 µg/mL) as a positive control. Additionally, the [Na(bpmt)2][AuCl4] complex had better antifungal efficacy (MIC = 125 µg/mL) against C. albicans compared to bpmt (MIC = 500 µg/mL).

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Section: Introductionmentioning

confidence: 99%

A Novel Na(I) Coordination Complex with s-Triazine Pincer Ligand: Synthesis, X-ray Structure, Hirshfeld Analysis, and Antimicrobial Activity

Yousri,

El-Faham,

Haukka

et al. 2023

Crystals

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“…Perhaps the most well-known and earliest reported use of this system is benzyl group cleavage using a combination of boron trifluoride etherate and dimethyl sulfide. The combined boron trifluoride complex has since been used almost exclusively for ether dealkylations. − Some developments toward uses of the complex have nonetheless been accomplished, such as selective cleavage of di- tert- butylsilylene ethers, selective methoxy cleavage, and as a borylation reagent . Recently, we reported BF 3 SMe 2 as a convenient thiomethylating reagent and also showed that it could reduce nitro groups in certain substrates .…”

Section: Introductionmentioning

confidence: 99%

Thioacetalation and Multi-Component Thiomethylative Friedel-Crafts Arylation Using BF₃SMe₂

2023

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Herein, a method for thioacetalation using BF3SMe2 is presented. The method allows for convenient and odor-free transformation of aldehydes to methyl-dithioacetals, a simple but sparsely reported structural moiety, in good yields with a diverse set of aromatic aldehydes. In addition, a thiomethylative Friedel-Crafts reaction was discovered, affording thiomethylated diarylmethanes in good to excellent yields. The resulting diarylmethane core is of interest as it is found in many biologically active compounds, and its utility is further demonstrated as a novel precursor to unsymmetrical triarylmethanes. This work also highlights the usefulness and the synthetic capabilities of the readily available reagent BF3SMe2 beyond its reactivity profile as a dealkylation reagent.

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PT-Finder: A multi-modal neural network approach to target identification

Nada,

Kim,

Lee

2024

Computers in Biology and Medicine

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Design, synthesis, and biological evaluation of a new series of pyrazole derivatives: Discovery of potent and selective JNK3 kinase inhibitors

Cited by 5 publications

References 35 publications

A Novel Na(I) Coordination Complex with s-Triazine Pincer Ligand: Synthesis, X-ray Structure, Hirshfeld Analysis, and Antimicrobial Activity

A Novel Na(I) Coordination Complex with s-Triazine Pincer Ligand: Synthesis, X-ray Structure, Hirshfeld Analysis, and Antimicrobial Activity

Thioacetalation and Multi-Component Thiomethylative Friedel-Crafts Arylation Using BF₃SMe₂

PT-Finder: A multi-modal neural network approach to target identification

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Design, synthesis, and biological evaluation of a new series of pyrazole derivatives: Discovery of potent and selective JNK3 kinase inhibitors

Cited by 5 publications

References 35 publications

A Novel Na(I) Coordination Complex with s-Triazine Pincer Ligand: Synthesis, X-ray Structure, Hirshfeld Analysis, and Antimicrobial Activity

A Novel Na(I) Coordination Complex with s-Triazine Pincer Ligand: Synthesis, X-ray Structure, Hirshfeld Analysis, and Antimicrobial Activity

Thioacetalation and Multi-Component Thiomethylative Friedel-Crafts Arylation Using BF3SMe2

PT-Finder: A multi-modal neural network approach to target identification

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Product

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Thioacetalation and Multi-Component Thiomethylative Friedel-Crafts Arylation Using BF₃SMe₂