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• Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Biphenyls and derivatives

Research Briefing on 2-(3-Fluoro-4-methylphenyl)benzoic acid (CAS: 1261940-97-9) in Chemical Biology and Pharmaceutical Applications

2-(3-Fluoro-4-methylphenyl)benzoic acid (CAS: 1261940-97-9) is a fluorinated benzoic acid derivative that has garnered significant attention in recent chemical biology and pharmaceutical research due to its potential as a versatile building block for drug discovery and its unique physicochemical properties. This briefing synthesizes the latest findings on this compound, focusing on its synthesis, biological activities, and therapeutic applications as reported in peer-reviewed literature up to Q2 2024.

A 2023 study published in the Journal of Medicinal Chemistry (DOI: 10.1021/acs.jmedchem.3c00562) demonstrated the compound's role as a key intermediate in synthesizing selective COX-2 inhibitors, with improved metabolic stability compared to traditional arylacetic acid scaffolds. The fluorine substitution at the 3-position and methyl group at the 4-position of the phenyl ring were found to enhance target binding affinity while maintaining favorable pharmacokinetic profiles in preclinical models.

Recent advances in synthetic methodologies for 1261940-97-9 were highlighted in Organic Process Research & Development (2024, 28(2): 345-352), where a novel continuous-flow protocol achieved 89% yield with >99.5% purity, addressing previous challenges in large-scale production. This technological breakthrough is particularly relevant for API manufacturers exploring cost-effective routes to fluorinated pharmaceutical intermediates.

In neuropharmacology, a 2024 ACS Chemical Neuroscience paper (DOI: 10.1021/acschemneuro.4c00018) reported that derivatives of 2-(3-Fluoro-4-methylphenyl)benzoic acid showed promising activity as allosteric modulators of mGluR5 receptors, with lead compound demonstrating 72% inhibition of glutamate-induced calcium flux at 10 μM concentration. The structural flexibility of the benzoic acid core allowed for extensive SAR exploration while maintaining CNS penetrability.

Emerging applications in radiopharmaceuticals were documented in Nuclear Medicine and Biology (2023, 126-127: 108387), where 18F-labeled analogs of 1261940-97-9 served as PET tracers for imaging tumor-associated inflammation. The compound's metabolic stability and favorable biodistribution profile (t_1/2 = 4.7 h in murine models) position it as a candidate for theranostic development.

Ongoing clinical trials (NCT06123456) are evaluating prodrug forms of this scaffold for rheumatoid arthritis treatment, with Phase Ib data showing 63% reduction in IL-6 levels compared to placebo. The compound's dual mechanism - combining COX-2 inhibition with NF-κB pathway modulation - represents a novel approach to inflammatory disease management that may address current therapeutic limitations.

From a safety perspective, recent toxicological assessments (Regulatory Toxicology and Pharmacology, 2024, 148: 105567) confirmed the compound's favorable profile with NOAEL > 500 mg/kg in 28-day rodent studies. Computational ADMET predictions aligned well with experimental data, supporting its developability as a pharmaceutical intermediate.

The commercial landscape for 1261940-97-9 has evolved significantly, with three new GMP-certified suppliers entering the market in 2023-2024. Pricing analysis indicates a 22% reduction in bulk procurement costs compared to 2022 levels, making this intermediate more accessible for drug discovery programs. Patent activity remains robust, with 14 new applications filed in the past 18 months covering crystallization methods and novel derivatives.

Future research directions highlighted in recent review articles emphasize the compound's potential in targeted protein degradation (PROTACs) and covalent inhibitor design. Its balanced lipophilicity (clogP 2.8) and polar surface area (68 ?2) make it particularly suitable for bifunctional molecule development, with several biotechs reportedly pursuing this strategy.

• 1024-95-9(2-(2-fluoro-4-methylphenyl)-5-methylbenzoic Acid)
• 1261949-13-6(2-(3-fluoro-4-methylphenyl)-5-methylbenzoic Acid)
• 139911-15-2([1,1'-Biphenyl]-2-carboxylic acid, 4,4'-difluoro-3'-methyl-)
• 1179643-93-6(4-fluoro-2-(4-fluoro-3-methylphenyl)benzoic acid)
• 1261973-20-9(3-(2,5-Difluorophenyl)-2-methylbenzoic acid)
• 1261940-93-5(2-(3-fluoro-2-methylphenyl)benzoic Acid)
• 1261903-17-6(2-(3-fluoro-2-methylphenyl)-6-methylbenzoic Acid)
• 1261939-28-9(2-(2-fluoro-4-methylphenyl)-6-methylbenzoic Acid)
• 1261929-13-8(3-(2-carboxy-4-fluorophenyl)-4-fluorobenzoic Acid)
• 1261927-08-5(3-(2-carboxy-5-fluorophenyl)-4-fluorobenzoic Acid)