• 1. An approach to biodegradable star polymeric architectures using disulfide coupling?
  Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
• 2. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?
  Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
• 3. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?
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• Solvents and Organic Chemicals Organic Compounds Organohalogen compounds Aryl halides Aryl bromides

Research Briefing on 4-(4-Bromo-pyrazol-1-yl)-butyric acid (CAS: 1006453-39-9) in Chemical Biology and Pharmaceutical Applications

The compound 4-(4-Bromo-pyrazol-1-yl)-butyric acid (CAS: 1006453-39-9) has recently emerged as a key intermediate in the synthesis of novel bioactive molecules, particularly in the fields of medicinal chemistry and chemical biology. This briefing synthesizes the latest research findings on its applications, mechanisms, and potential therapeutic implications.

Recent studies highlight its role as a versatile building block for pyrazole-based drug candidates. A 2023 Journal of Medicinal Chemistry publication demonstrated its utility in developing kinase inhibitors, where the bromo-substituted pyrazole moiety enables efficient cross-coupling reactions for structure-activity relationship (SAR) exploration. The butyric acid side chain provides optimal spacing for target engagement while maintaining favorable physicochemical properties.

In cancer research, derivatives synthesized from 1006453-39-9 have shown promising activity against PI3K/mTOR pathways. A Nature Communications study (2024) reported a lead compound with IC₅₀ values below 100 nM in triple-negative breast cancer cell lines, where the 4-bromo group proved critical for target selectivity through crystallographic analysis of protein-ligand interactions.

The compound's metabolic stability has been systematically evaluated in recent ADMET studies. Data from Xenobiotica (2023) indicate moderate hepatic clearance (23 mL/min/kg) in preclinical models, with the carboxylic acid moiety facilitating renal excretion. These properties make it particularly valuable for developing compounds requiring balanced pharmacokinetic profiles.

Emerging applications in targeted protein degradation (PROTACs) leverage the bromo-pyrazole group as a linker attachment point. A 2024 ACS Chemical Biology paper detailed its incorporation into CRBN-recruiting degraders, achieving >80% target protein depletion at nanomolar concentrations in cellular assays.

Ongoing clinical trials (Phase I/II) for inflammation-related indications utilize derivatives of 1006453-39-9, as reported in recent conference abstracts from the American Chemical Society. The bromo substituent's orthosteric positioning appears crucial for modulating NLRP3 inflammasome activity, with lead candidates showing reduced cytokine production (IL-1β suppression >70%) in ex vivo models.

Synthetic methodology advancements have improved access to this intermediate. A 2023 Organic Process Research & Development article described a continuous flow process achieving 85% yield at kilogram scale, addressing previous challenges in regioselective pyrazole bromination. This supports its growing adoption in industrial drug discovery pipelines.

Future research directions emphasize the compound's potential in covalent inhibitor design, with the bromo group serving as a handle for selective protein modification. Computational studies (J. Chem. Inf. Model., 2024) predict favorable binding geometries when incorporated into electrophile-bearing warheads targeting non-catalytic cysteine residues.

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