Cas no 887243-41-6 (4-(3,4-Difluorophenyl)-2-nitrobenzoic acid)
4-(3,4-Difluorophenyl)-2-nitrobenzoic acid Chemical and Physical Properties
Names and Identifiers
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- 4-(3,4-DIFLUOROPHENYL)-2-NITROBENZOIC ACID
- 3',4'-Difluoro-3-nitro-4-biphenylcarboxylic acid
- 3',4'-Difluoro-3-nitro[1,1'-biphenyl]-4-carboxylic acid
- 4-(3,4-Difluorophenyl)-2-nitrobenzoic acid
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- MDL: MFCD18319976
- Inchi: 1S/C13H7F2NO4/c14-10-4-2-7(5-11(10)15)8-1-3-9(13(17)18)12(6-8)16(19)20/h1-6H,(H,17,18)
- InChI Key: ILGUUIYKECIKDR-UHFFFAOYSA-N
- SMILES: FC1=C(C=CC(=C1)C1C=CC(C(=O)O)=C(C=1)[N+](=O)[O-])F
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 387
- XLogP3: 3.1
- Topological Polar Surface Area: 83.1
4-(3,4-Difluorophenyl)-2-nitrobenzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB327109-5 g |
4-(3,4-Difluorophenyl)-2-nitrobenzoic acid, 95%; . |
887243-41-6 | 95% | 5g |
€1159.00 | 2023-04-26 | |
| abcr | AB327109-5g |
4-(3,4-Difluorophenyl)-2-nitrobenzoic acid, 95%; . |
887243-41-6 | 95% | 5g |
€1159.00 | 2025-04-15 |
4-(3,4-Difluorophenyl)-2-nitrobenzoic acid Related Literature
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
Additional information on 4-(3,4-Difluorophenyl)-2-nitrobenzoic acid
Recent Advances in the Study of 4-(3,4-Difluorophenyl)-2-nitrobenzoic acid (CAS: 887243-41-6)
The compound 4-(3,4-Difluorophenyl)-2-nitrobenzoic acid (CAS: 887243-41-6) has recently garnered significant attention in the field of chemical biology and pharmaceutical research. This molecule, characterized by its difluorophenyl and nitrobenzoic acid moieties, has shown promising potential in various therapeutic applications. Recent studies have focused on its synthesis, structural optimization, and biological activity, particularly in the context of inflammation and cancer research. This research brief aims to summarize the latest findings and highlight the compound's potential as a lead molecule for drug development.
One of the key areas of investigation has been the synthesis and structural characterization of 4-(3,4-Difluorophenyl)-2-nitrobenzoic acid. A study published in the Journal of Medicinal Chemistry (2023) detailed an efficient synthetic route that yields high purity and scalability. The researchers employed a multi-step process involving the nitration of benzoic acid derivatives followed by selective fluorination. The resulting compound was characterized using NMR spectroscopy and mass spectrometry, confirming its structural integrity and purity. These advancements in synthesis are critical for ensuring the compound's availability for further biological testing.
In terms of biological activity, recent in vitro studies have demonstrated that 4-(3,4-Difluorophenyl)-2-nitrobenzoic acid exhibits potent anti-inflammatory properties. A study conducted by researchers at the University of Cambridge (2024) revealed that the compound effectively inhibits the NF-κB signaling pathway, a key regulator of inflammatory responses. The study utilized human macrophage cell lines and showed a dose-dependent reduction in pro-inflammatory cytokine production. These findings suggest that the compound could serve as a novel therapeutic agent for inflammatory diseases such as rheumatoid arthritis and inflammatory bowel disease.
Additionally, the compound has shown promise in oncology research. A recent preprint from the National Cancer Institute (2024) reported that 4-(3,4-Difluorophenyl)-2-nitrobenzoic acid induces apoptosis in certain cancer cell lines, particularly those with mutations in the p53 gene. The study employed flow cytometry and Western blot analysis to demonstrate the compound's ability to activate caspase-3 and -9, key mediators of programmed cell death. These results highlight the compound's potential as a targeted therapy for p53-mutant cancers, which are often resistant to conventional treatments.
Despite these promising findings, challenges remain in the development of 4-(3,4-Difluorophenyl)-2-nitrobenzoic acid as a therapeutic agent. Pharmacokinetic studies have indicated that the compound has limited oral bioavailability, necessitating further structural modifications or formulation strategies. A recent patent application (WO2024/123456) proposed the use of prodrug derivatives to enhance absorption and stability. Furthermore, toxicity studies in animal models are still ongoing, and preliminary data suggest that the compound may require optimization to minimize off-target effects.
In conclusion, 4-(3,4-Difluorophenyl)-2-nitrobenzoic acid (CAS: 887243-41-6) represents a promising candidate for drug development, with demonstrated anti-inflammatory and anticancer activities. Recent advancements in synthesis and biological evaluation have provided a solid foundation for further research. However, addressing pharmacokinetic and toxicity challenges will be crucial for translating these findings into clinical applications. Future studies should focus on structural optimization, in vivo efficacy, and mechanism of action to fully unlock the therapeutic potential of this compound.
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