Cas no 1256819-57-4 (4-bromo-5H,6H,7H-cyclopentacpyridine)
4-bromo-5H,6H,7H-cyclopentacpyridine Chemical and Physical Properties
Names and Identifiers
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- 5H-Cyclopenta[c]pyridine, 4-bromo-6,7-dihydro-
- 4-bromo-5H,6H,7H-cyclopentacpyridine
- 4-bromo-5H,6H,7H-cyclopenta[c]pyridine
- 1256819-57-4
- 4-Bromo-6,7-dihydro-5H-cyclopenta[c]pyridine
- EN300-2081305
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- Inchi: 1S/C8H8BrN/c9-8-5-10-4-6-2-1-3-7(6)8/h4-5H,1-3H2
- InChI Key: MQAODUBQMCJOEQ-UHFFFAOYSA-N
- SMILES: C1=NC=C(Br)C2CCCC1=2
Computed Properties
- Exact Mass: 196.98401g/mol
- Monoisotopic Mass: 196.98401g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 126
- 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: 2.4
- Topological Polar Surface Area: 12.9?2
Experimental Properties
- Density: 1.548±0.06 g/cm3(Predicted)
- Boiling Point: 245.1±40.0 °C(Predicted)
- pka: 3.88±0.20(Predicted)
4-bromo-5H,6H,7H-cyclopentacpyridine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-2081305-0.05g |
4-bromo-5H,6H,7H-cyclopenta[c]pyridine |
1256819-57-4 | 95% | 0.05g |
$600.0 | 2023-09-16 | |
| Enamine | EN300-2081305-0.1g |
4-bromo-5H,6H,7H-cyclopenta[c]pyridine |
1256819-57-4 | 95% | 0.1g |
$783.0 | 2023-09-16 | |
| Enamine | EN300-2081305-0.25g |
4-bromo-5H,6H,7H-cyclopenta[c]pyridine |
1256819-57-4 | 95% | 0.25g |
$1118.0 | 2023-09-16 | |
| Enamine | EN300-2081305-0.5g |
4-bromo-5H,6H,7H-cyclopenta[c]pyridine |
1256819-57-4 | 95% | 0.5g |
$1760.0 | 2023-09-16 | |
| Enamine | EN300-2081305-1.0g |
4-bromo-5H,6H,7H-cyclopenta[c]pyridine |
1256819-57-4 | 95% | 1g |
$2257.0 | 2023-05-31 | |
| Enamine | EN300-2081305-2.5g |
4-bromo-5H,6H,7H-cyclopenta[c]pyridine |
1256819-57-4 | 95% | 2.5g |
$4424.0 | 2023-09-16 | |
| Enamine | EN300-2081305-5.0g |
4-bromo-5H,6H,7H-cyclopenta[c]pyridine |
1256819-57-4 | 95% | 5g |
$6545.0 | 2023-05-31 | |
| Enamine | EN300-2081305-10.0g |
4-bromo-5H,6H,7H-cyclopenta[c]pyridine |
1256819-57-4 | 95% | 10g |
$9704.0 | 2023-05-31 | |
| Enamine | EN300-2081305-1g |
4-bromo-5H,6H,7H-cyclopenta[c]pyridine |
1256819-57-4 | 95% | 1g |
$2257.0 | 2023-09-16 | |
| Enamine | EN300-2081305-5g |
4-bromo-5H,6H,7H-cyclopenta[c]pyridine |
1256819-57-4 | 95% | 5g |
$6545.0 | 2023-09-16 |
4-bromo-5H,6H,7H-cyclopentacpyridine Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
Additional information on 4-bromo-5H,6H,7H-cyclopentacpyridine
Introduction to 4-bromo-5H,6H,7H-cyclopentacypyridine (CAS No. 1256819-57-4)
4-bromo-5H,6H,7H-cyclopentacypyridine, identified by its Chemical Abstracts Service (CAS) number 1256819-57-4, is a significant heterocyclic compound that has garnered considerable attention in the field of pharmaceutical chemistry and medicinal research. This compound belongs to the class of cyclopentacypyridines, a structural motif known for its versatile biological activities and potential applications in drug discovery. The presence of a bromine substituent at the fourth position enhances its utility as a key intermediate in synthetic chemistry, facilitating further derivatization and functionalization.
The cyclopentacypyridine scaffold is particularly intriguing due to its ability to mimic natural product structures, which often exhibit potent biological effects. This structural framework has been extensively explored for its pharmacological properties, including antimicrobial, anti-inflammatory, and anticancer activities. The brominated derivative, in particular, has been investigated for its role in developing novel therapeutic agents targeting various diseases.
In recent years, there has been a surge in research focusing on the development of small-molecule inhibitors for kinases and other enzymes involved in cancer progression. 4-bromo-5H,6H,7H-cyclopentacypyridine has emerged as a promising scaffold for designing such inhibitors due to its ability to interact with target proteins through multiple binding sites. Studies have demonstrated that modifications at the bromine substituent can significantly alter the binding affinity and selectivity of the compound towards specific enzymes.
One of the most notable applications of 4-bromo-5H,6H,7H-cyclopentacypyridine is in the synthesis of kinase inhibitors. Kinases are enzymes that play a crucial role in cell signaling pathways, and their dysregulation is often associated with various diseases, particularly cancer. By designing molecules that selectively inhibit aberrant kinase activity, researchers aim to develop treatments that can modulate these pathways effectively. The bromine atom in 4-bromo-5H,6H,7H-cyclopentacypyridine serves as a versatile handle for further chemical modifications, allowing chemists to fine-tune the properties of the compound for optimal biological activity.
Furthermore, the cyclopentacypyridine core has been explored for its potential in treating neurological disorders. Preliminary studies have suggested that derivatives of this scaffold may interact with neurotransmitter receptors and ion channels, potentially offering therapeutic benefits for conditions such as Alzheimer's disease and Parkinson's disease. The bromine substituent enhances the compound's solubility and bioavailability, making it a more viable candidate for drug development.
The synthesis of 4-bromo-5H,6H,7H-cyclopentacypyridine typically involves multi-step organic reactions starting from readily available precursors. Advanced synthetic methodologies have been employed to improve yield and purity, ensuring that the final product meets the stringent requirements of pharmaceutical research. Techniques such as palladium-catalyzed cross-coupling reactions have been particularly useful in constructing the complex cyclopentacypyridine ring system.
In conclusion,4-bromo-5H,6H,7H-cyclopentacypyridine (CAS No. 1256819-57-4) represents a valuable building block in medicinal chemistry with diverse applications in drug discovery. Its unique structural features and functional versatility make it an attractive candidate for developing novel therapeutic agents targeting various diseases. As research continues to uncover new biological activities and synthetic strategies for this compound,4-bromo-5H,6H,7H-cyclopentacypyridine is poised to play an increasingly important role in the development of next-generation pharmaceuticals.
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