Cas no 1956379-88-6 (1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid)
1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid Chemical and Physical Properties
Names and Identifiers
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- 1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid
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- Inchi: 1S/C13H13FO3/c14-10-5-3-9(4-6-10)13(12(16)17)7-1-2-11(15)8-13/h3-6H,1-2,7-8H2,(H,16,17)
- InChI Key: BQDPQUYSQPEYQJ-UHFFFAOYSA-N
- SMILES: FC1C=CC(=CC=1)C1(C(=O)O)CC(CCC1)=O
Computed Properties
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 321
- XLogP3: 1.5
- Topological Polar Surface Area: 54.4
1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019123787-1g |
1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid |
1956379-88-6 | 97% | 1g |
$767.44 | 2023-09-02 | |
| Crysdot LLC | CD12099723-1g |
1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid |
1956379-88-6 | 97% | 1g |
$681 | 2024-07-24 |
1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid Related Literature
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Vitaly Gurylev,Chung-Yi Su,Tsong-Pyng Perng Phys. Chem. Chem. Phys., 2016,18, 16033-16038
Additional information on 1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid
Introduction to 1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid (CAS No. 1956379-88-6)
1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid (CAS No. 1956379-88-6) is a synthetic organic compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound is characterized by its unique structural features, including a fluorinated phenyl group and a cyclohexane ring with a ketone and carboxylic acid functionality. These structural elements contribute to its potential biological activities and make it an interesting candidate for various applications in drug discovery and development.
The chemical structure of 1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid is composed of a six-membered cyclohexane ring, which is substituted with a ketone group at the 3-position and a carboxylic acid group at the 1-position. The 4-fluorophenyl group attached to the cyclohexane ring adds an additional layer of complexity and functionality to the molecule. The presence of the fluorine atom can influence the compound's physicochemical properties, such as its lipophilicity and metabolic stability, which are crucial factors in drug design.
Recent studies have explored the potential therapeutic applications of 1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid. One notable area of research is its anti-inflammatory properties. In vitro and in vivo experiments have shown that this compound can effectively inhibit the production of pro-inflammatory cytokines, such as interleukin-6 (IL-6) and tumor necrosis factor-alpha (TNF-α). These findings suggest that 1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid may have potential as an anti-inflammatory agent for treating conditions such as rheumatoid arthritis and inflammatory bowel disease.
In addition to its anti-inflammatory effects, 1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid has also been investigated for its potential neuroprotective properties. Preclinical studies have demonstrated that this compound can reduce oxidative stress and prevent neuronal cell death in models of neurodegenerative diseases, such as Alzheimer's disease and Parkinson's disease. The mechanism underlying these neuroprotective effects is thought to involve the modulation of signaling pathways related to oxidative stress and inflammation.
The pharmacokinetic profile of 1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid has also been studied in detail. Research has shown that this compound exhibits good oral bioavailability and favorable pharmacokinetic parameters, making it suitable for further development as a therapeutic agent. Its metabolic stability and low toxicity profile are additional advantages that support its potential use in clinical settings.
To further validate the therapeutic potential of 1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid, several preclinical studies have been conducted using animal models. These studies have consistently demonstrated the compound's efficacy in reducing inflammation, oxidative stress, and neuronal damage. Moreover, preliminary safety assessments have indicated that 1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid is well-tolerated at therapeutic doses, with no significant adverse effects observed.
The future development of 1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid as a therapeutic agent will likely involve further preclinical studies to optimize its formulation and delivery methods. Additionally, clinical trials will be necessary to evaluate its safety and efficacy in human subjects. Given its promising preclinical results, there is significant interest in advancing this compound through the drug development pipeline.
In conclusion, 1-(4-Fluorophenyl)-3-oxocyclohexanecarboxylic acid (CAS No. 1956379-88-6) is a versatile organic compound with potential applications in various therapeutic areas, including anti-inflammatory and neuroprotective treatments. Its unique chemical structure and favorable pharmacological properties make it an attractive candidate for further research and development in the pharmaceutical industry.
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