Akt inhibitors(Proto-oncogene proteins c-akt inhibitors), MMP2 inhibitors(Matrix metalloproteinase-2 inhibitors), NF-κB inhibitors(Nuclear factor NF-kappa-B complex inhibitors)

+ [1]

Therapeutic Areas

NeoplasmsDigestive System DisordersEndocrinology and Metabolic Disease

Active Indication

Pancreatic Cancer

Inactive Indication-

Originator Organization

Texas Tech University Health Sciences Center

Active Organization

Texas Tech University Health Sciences Center

Inactive Organization-

License Organization-

Drug Highest PhasePreclinical

First Approval Date-

Regulation-

Structure/Sequence

Molecular FormulaC8H7NS

InChIKeyMDKCFLQDBWCQCV-UHFFFAOYSA-N

CAS Registry622-78-6

100 Clinical Results associated with Benzyl isothiocyanate

100 Translational Medicine associated with Benzyl isothiocyanate

100 Patents (Medical) associated with Benzyl isothiocyanate

2,966

Literatures (Medical) associated with Benzyl isothiocyanate

01 Jul 2025·European Journal of Medicinal Chemistry

Discovery of non-electrophilic TRPA1 channel agonists with anti-nociceptive effects via rapid current desensitization

Article

Author: Chang, Xiuying ; Wei, Ningning ; Zhang, Yanru ; Zhou, Qiqi ; Wang, KeWei ; Sun, Chaoyue ; Yang, Nan ; Qiao, Zhen

Desensitizing transient receptor potential ankyrin 1 (TRPA1) cation channel through agonists emerges as an effective strategy for developing analgesics. Many TRPA1 agonists are electrophilic irritants, including BITC and iodoacetamide (IA), which covalently bind to cysteine residues in the cytoplasmic region of the channel. The electrophile JT010 is also recognized as a potent TRPA1 agonist via covalent modification of Cys621, whose irritant effects have been confirmed in humans, highlighting a commonly undesirable property of these electrophilic agonists. Cryo-electron microscopy (cryo-EM) structures have shown that these electrophiles induce a strong driving force for conformational change through electrophilic modification of TRPA1. However, the stable activated conformation induced by electrophiles might delay subsequent desensitization, leading to prolonged TRPA1-mediated nociception responses in vivo. Therefore, developing non-electrophilic TRPA1 agonists may mitigate the irritation associated with electrophilic agonists by accelerating the desensitizing process. To test this hypothesis, we designed and synthesized a series of novel TRPA1 agonists by removing the electrophilic functional group of JT010. Among these synthetic compounds, whole-cell patch clamp recording assays identified compound 21 as a selective TRPA1 agonist with an EC₅₀ of 25.47 ± 1.56 μM for hTRPA1, exhibiting faster desensitization (τ = 20.02 ± 1.66 s) of mTRPA1 compared to electrophiles JT010 (41.71 ± 4.10 s) and BITC (68.05 ± 5.57 s). Importantly, compound 21 demonstrated effective analgesic properties without irritation in mice. Our findings support the hypothesis that facilitating rapid desensitization of TRPA1 by non-electrophilic channel agonists enhances anti-nociceptive effects. Compound 21 may serve as a promising lead for further optimization.

01 Jun 2025·Food Chemistry

Integration of lipidomics and flavoromics reveals the lipid-flavor transformation mechanism of fish oil from silver carp visceral with different enzymatic hydrolysis

Article

Author: Yu, Chengwei ; Tu, Zongcai ; Li, Jinlin ; Hu, Mingming ; Weng, Linlin ; Peng, Bin ; Yuan, Liping

Lipidomics and volatile organic compounds (VOCs) of fish oil from silver carp visceral hydrolyzed by papain, alkaline protease, pepsin, neutral protease, flavor protease, trypsin, and complex protease were investigated to explore the lipid-flavor transformation mechanism. Our results showed that diglycerol (DG, 18:4/16:1, 18:3/18:3, 16:0/18:3)/fatty acids (20:4) in glycerides and phosphatidylethanolamine (PE, 4:0/18:2)/phosphatidylglycerol (8:0e/10:3) in phospholipids could be used as markers to distinguish fish oil by different enzymolysis. A total of 130 and 36 VOCs were detected in fish oil using GC-MS and GC-IMS, respectively, including 11 key VOCs, namely 1-octen-3-ol, 1-heptanol, eugenol, (E)-2-decenal, (E, E)-2,4-heptadienal, (E, E)-2,4-decadienal, (E)-2-nonenal, benzene acetaldehyde, and 2,3-pentanedione. Moreover, the correlation analysis showed that 1-octen-3-ol, octanal, nonanal, and benzene cetaldehyde, hold significant positive correlations with the DG (16:0/18:3), DG (18:4/16:1), and PE (4:0/18:2). Conclusively, DG and PE, rich in polyunsaturated fatty acids, may be essential precursors for forming key fish oil flavors during enzymolysis extraction.

01 May 2025·Bioorganic & Medicinal Chemistry Letters

Identifying thiourea-based hybrids of quinazoline and oxospirochromane as inhibitors of Plasmodium cysteine proteases arresting the parasitic growth at the early trophozoite stage

Article

Author: Madhav, Hari ; Hoda, Nasimul ; Bhatt, Jaimin D ; Chaudhari, Tohasib Yusub ; Rahman, Abdur ; Dixit, Bharat C ; Sattar, Mahim ; Heyat, Fatima ; Patel, Tarosh S ; Anjum, Shazia ; Singh, Anju

Malaria, an infectious disease, impacts approximately half of the global population. To tackle the growing problem of drug resistance to treatments such as artemisinin-based combination therapies (ACT), we synthesized thiourea-based compounds (QS1-QS16) by blending quinazoline and oxospirochromane. These compounds underwent testing to assess their in-vitro efficacy against both drug-sensitive and drug-resistant strains of the Plasmodium parasite. Among all the synthesized compounds, QS5 showed good inhibitory efficacy against Pf3D7 and PfW2 with IC₅₀ 3.18 and 3.98 µM respectively, and QS13 with IC₅₀ 3.56 and 4.43 µM respectively. The promising compounds were screened against the Plasmodium parasite's falcipain-2 and falcipain-3 enzymes. The ligands QS5 and QS13 displayed inhibition against PfFP-2 (IC₅₀ 3.9 and 4.9 µM) and PfFP-3 (IC₅₀ 4.6 and 5.9 µM) respectively. Furthermore, the selected molecules showed no significant cytotoxicity in non-cancerous Vero cell lines, and hemolysis assays on healthy RBCs confirmed the molecules' specific antiplasmodial activity. Docking investigations explored ligand interaction with PfFP2 and PfFP3 binding sites. We investigated thiourea-based compounds, notably QS5 and QS13, as potential solutions to combat drug-resistant malaria strains. Our findings suggest that these compounds exhibit promising activity against the parasite at its early stages, offering hope for developing new antimalarial therapies.

100 Deals associated with Benzyl isothiocyanate

R&D Status

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Indication	Highest Phase	Country/Location	Organization	Date
Pancreatic Cancer	Preclinical	United States	Texas Tech University Health Sciences Center	15 Apr 2010

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