Cas no 99532-53-3 (1-(5-fluoro-1H-indol-3-yl)-Ethanone)
1-(5-fluoro-1H-indol-3-yl)-Ethanone Chemical and Physical Properties
Names and Identifiers
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- 1-(5-fluoro-1H-indol-3-yl)-Ethanone
- 1-(5-Fluoro-1H-indol-3-yl)ethanone
- 5-fluoro-3-acetylindole
- 1-(5-Fluoro-3-indolyl)ethanone
- 1-(5-Fluoro-1h-indol-3-yl)ethan-1-one
- C91183
- DTXSID401297290
- SCHEMBL5912516
- AKOS013154520
- SY315734
- MFCD13178345
- Ethanone, 1-(5-fluoro-1H-indol-3-yl)-
- 99532-53-3
-
- MDL: MFCD13178345
- Inchi: 1S/C10H8FNO/c1-6(13)9-5-12-10-3-2-7(11)4-8(9)10/h2-5,12H,1H3
- InChI Key: FYSYTQMPBWFSBB-UHFFFAOYSA-N
- SMILES: FC1C=CC2=C(C=1)C(C(C)=O)=CN2
Computed Properties
- Exact Mass: 177.059
- Monoisotopic Mass: 177.059
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 219
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.2
- Topological Polar Surface Area: 32.9A^2
1-(5-fluoro-1H-indol-3-yl)-Ethanone Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Matrix Scientific | 221641-5g |
1-(5-Fluoro-1H-indol-3-yl)ethan-1-one, 95% min |
99532-53-3 | 95% | 5g |
$1680.00 | 2023-09-09 | |
| Matrix Scientific | 221641-10g |
1-(5-Fluoro-1H-indol-3-yl)ethan-1-one, 95% min |
99532-53-3 | 95% | 10g |
$2626.00 | 2023-09-09 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1605447-5g |
1-(5-Fluoro-1H-indol-3-yl)ethanone |
99532-53-3 | 98% | 5g |
¥11044.00 | 2024-04-23 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1605447-10g |
1-(5-Fluoro-1H-indol-3-yl)ethanone |
99532-53-3 | 98% | 10g |
¥18490.00 | 2024-04-23 |
1-(5-fluoro-1H-indol-3-yl)-Ethanone Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
Additional information on 1-(5-fluoro-1H-indol-3-yl)-Ethanone
Professional Introduction to Compound with CAS No. 99532-53-3 and Product Name: 1-(5-fluoro-1H-indol-3-yl)-Ethanone
The compound with the CAS number 99532-53-3 and the product name 1-(5-fluoro-1H-indol-3-yl)-Ethanone represents a significant advancement in the field of pharmaceutical chemistry. This molecule, characterized by its unique structural framework, has garnered considerable attention due to its potential applications in medicinal chemistry and drug development. The presence of a fluoro-substituent at the 5-position of the indole ring and an ethanone moiety at the 3-position contributes to its distinctive chemical properties, which are critical for its biological activity and pharmacological efficacy.
Recent research has highlighted the importance of fluoroalkyl groups in enhancing the metabolic stability and binding affinity of drug candidates. The incorporation of a fluoro-substituent in 1-(5-fluoro-1H-indol-3-yl)-Ethanone is particularly noteworthy, as it has been shown to modulate the electronic properties of the indole ring, thereby influencing its interactions with biological targets. This modification has been widely explored in the development of small-molecule inhibitors and agonists, where precise control over molecular interactions is essential for achieving therapeutic efficacy.
The indole scaffold is another key feature of this compound that has been extensively studied in medicinal chemistry. Indole derivatives are known for their diverse biological activities, including antimicrobial, anti-inflammatory, and anticancer properties. The specific arrangement of functional groups on the indole ring, as seen in 1-(5-fluoro-1H-indol-3-yl)-Ethanone, allows for selective targeting of various biological pathways. For instance, modifications at the 3-position of the indole ring can significantly alter the compound's pharmacokinetic profile, making it more suitable for oral administration or improving its bioavailability.
In addition to its structural features, the compound's potential applications in drug development have been further explored through computational modeling and experimental studies. Advanced computational techniques, such as molecular dynamics simulations and quantum mechanical calculations, have been employed to predict the binding modes of 1-(5-fluoro-1H-indol-3-yl)-Ethanone with target proteins. These studies have provided valuable insights into how the compound interacts with biological receptors, which is crucial for designing more effective drugs.
One of the most promising areas of research involving this compound is its role in oncology. Recent studies have demonstrated that indole derivatives can exhibit potent antitumor activity by inhibiting key signaling pathways involved in cancer cell proliferation and survival. The presence of a fluoro-substituent in 1-(5-fluoro-1H-indol-3-yl)-Ethanone has been found to enhance its ability to disrupt these pathways, making it a promising candidate for further development as an anticancer agent. Preclinical trials have shown encouraging results, suggesting that this compound may offer a novel therapeutic approach for treating various types of cancer.
Another area where this compound shows significant promise is in neurology. Emerging evidence suggests that indole derivatives can modulate neurotransmitter systems, making them potential candidates for treating neurological disorders such as Alzheimer's disease and Parkinson's disease. The specific structural features of 1-(5-fluoro-1H-indol-3-yl)-Ethanone, including its fluoro-substituent and ethanone moiety, contribute to its ability to interact with neurotransmitter receptors and influence neural activity. Further research is ongoing to explore its potential as a therapeutic agent for neurological conditions.
The synthesis of 1-(5-fluoro-1H-indol-3-yl)-Ethanone also represents an important achievement in organic chemistry. The development of efficient synthetic routes allows for scalable production, which is crucial for pharmaceutical applications. Modern synthetic methodologies, including transition metal-catalyzed reactions and asymmetric synthesis techniques, have been employed to optimize the synthesis of this compound. These advancements not only improve yield but also enhance purity, ensuring that the final product meets stringent pharmaceutical standards.
Environmental considerations are also an integral part of modern drug development. The synthesis and application of compounds like 1-(5-fluoro-1H-indol-3-yl)-Ethanone must be evaluated for their environmental impact. Green chemistry principles have been increasingly adopted in pharmaceutical research to minimize waste and reduce energy consumption during synthesis. By incorporating sustainable practices into drug development processes, researchers can ensure that compounds like this one are produced responsibly while maintaining high efficacy.
Future directions in research on 1-(5-fluoro-1H-indol-3-yl)-Ethanone include exploring its potential as a lead compound for new drug candidates. By modifying its structure further through combinatorial chemistry and high-throughput screening techniques, researchers can identify analogs with enhanced biological activity and improved pharmacological profiles. Additionally, investigating new applications beyond oncology and neurology may uncover other therapeutic uses for this versatile molecule.
In conclusion, the compound with CAS number 99532-53-3 and product name 1-(5-fluoro-1H-indol-3-yl)-Ethanone represents a significant advancement in pharmaceutical chemistry. Its unique structural features, including a fluoro-substituent and an indole scaffold, contribute to its diverse biological activities and make it a promising candidate for further development as a therapeutic agent. Ongoing research continues to uncover new applications for this compound, particularly in oncology and neurology, while advancements in synthetic methodologies ensure scalable production with minimal environmental impact.
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