Cas no 2229616-12-8 (2-(3-bromo-5-methylphenyl)ethanimidamide)
2-(3-bromo-5-methylphenyl)ethanimidamide Chemical and Physical Properties
Names and Identifiers
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- 2-(3-bromo-5-methylphenyl)ethanimidamide
- EN300-1917027
- 2229616-12-8
-
- Inchi: 1S/C9H11BrN2/c1-6-2-7(5-9(11)12)4-8(10)3-6/h2-4H,5H2,1H3,(H3,11,12)
- InChI Key: GURFSJDPGVDWSF-UHFFFAOYSA-N
- SMILES: BrC1C=C(C)C=C(C=1)CC(=N)N
Computed Properties
- Exact Mass: 226.01056g/mol
- Monoisotopic Mass: 226.01056g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 170
- 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: 1.9
- Topological Polar Surface Area: 49.9?2
2-(3-bromo-5-methylphenyl)ethanimidamide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1917027-0.05g |
2-(3-bromo-5-methylphenyl)ethanimidamide |
2229616-12-8 | 0.05g |
$647.0 | 2023-09-17 | ||
| Enamine | EN300-1917027-0.1g |
2-(3-bromo-5-methylphenyl)ethanimidamide |
2229616-12-8 | 0.1g |
$678.0 | 2023-09-17 | ||
| Enamine | EN300-1917027-0.25g |
2-(3-bromo-5-methylphenyl)ethanimidamide |
2229616-12-8 | 0.25g |
$708.0 | 2023-09-17 | ||
| Enamine | EN300-1917027-0.5g |
2-(3-bromo-5-methylphenyl)ethanimidamide |
2229616-12-8 | 0.5g |
$739.0 | 2023-09-17 | ||
| Enamine | EN300-1917027-1.0g |
2-(3-bromo-5-methylphenyl)ethanimidamide |
2229616-12-8 | 1g |
$986.0 | 2023-06-01 | ||
| Enamine | EN300-1917027-2.5g |
2-(3-bromo-5-methylphenyl)ethanimidamide |
2229616-12-8 | 2.5g |
$1509.0 | 2023-09-17 | ||
| Enamine | EN300-1917027-5.0g |
2-(3-bromo-5-methylphenyl)ethanimidamide |
2229616-12-8 | 5g |
$2858.0 | 2023-06-01 | ||
| Enamine | EN300-1917027-10.0g |
2-(3-bromo-5-methylphenyl)ethanimidamide |
2229616-12-8 | 10g |
$4236.0 | 2023-06-01 | ||
| Enamine | EN300-1917027-1g |
2-(3-bromo-5-methylphenyl)ethanimidamide |
2229616-12-8 | 1g |
$770.0 | 2023-09-17 | ||
| Enamine | EN300-1917027-5g |
2-(3-bromo-5-methylphenyl)ethanimidamide |
2229616-12-8 | 5g |
$2235.0 | 2023-09-17 |
2-(3-bromo-5-methylphenyl)ethanimidamide Related Literature
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
Additional information on 2-(3-bromo-5-methylphenyl)ethanimidamide
Introduction to 2-(3-bromo-5-methylphenyl)ethanimidamide (CAS No. 2229616-12-8)
2-(3-bromo-5-methylphenyl)ethanimidamide, identified by the Chemical Abstracts Service Number (CAS No.) 2229616-12-8, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound belongs to the class of amides, characterized by a carbonyl group bonded to a nitrogen atom, and it incorporates a phenyl ring substituted with bromine and methyl groups, which contribute to its unique chemical properties and potential biological activities.
The structural features of 2-(3-bromo-5-methylphenyl)ethanimidamide make it a promising candidate for further investigation in drug discovery. The presence of a bromine atom at the 3-position of the phenyl ring enhances its reactivity, allowing for various functionalization strategies that can be exploited in the synthesis of more complex molecules. Additionally, the methyl group at the 5-position introduces steric and electronic effects that can influence the compound's interactions with biological targets.
In recent years, there has been growing interest in developing small-molecule inhibitors targeting specific enzymes and receptors involved in diseases such as cancer, inflammation, and neurodegenerative disorders. The amide moiety in 2-(3-bromo-5-methylphenyl)ethanimidamide is particularly relevant in this context, as amides are widely used in drug design due to their favorable pharmacokinetic properties and ability to form hydrogen bonds with biological targets. This makes 2-(3-bromo-5-methylphenyl)ethanimidamide a valuable scaffold for the development of novel therapeutic agents.
One of the most compelling aspects of 2-(3-bromo-5-methylphenyl)ethanimidamide is its potential as a lead compound for further derivatization. Researchers have been exploring various strategies to modify its structure in order to optimize its biological activity and selectivity. For instance, computational modeling and high-throughput screening have been employed to identify derivatives that exhibit enhanced binding affinity to specific protein targets. These efforts have led to the discovery of several promising candidates that are currently undergoing further investigation.
The bromine substituent in 2-(3-bromo-5-methylphenyl)ethanimidamide also offers opportunities for cross-coupling reactions, which are widely used in organic synthesis. Techniques such as Suzuki-Miyaura coupling and Buchwald-Hartwig coupling allow for the introduction of diverse functional groups at specific positions of the phenyl ring, enabling the creation of structurally diverse libraries of compounds. These libraries can then be screened for biological activity, providing a rapid and efficient approach to identifying new drug candidates.
Recent studies have highlighted the importance of 2-(3-bromo-5-methylphenyl)ethanimidamide in the development of inhibitors targeting kinases, which are enzymes involved in many cellular processes and are often dysregulated in cancer cells. By designing molecules that specifically interact with these kinases, researchers aim to develop drugs that can disrupt abnormal signaling pathways and induce apoptosis or cell cycle arrest. The amide group in 2-(3-bromo-5-methylphenyl)ethanimidamide provides a suitable platform for designing such inhibitors, as it can be modified to optimize binding interactions with kinase active sites.
Another area where 2-(3-bromo-5-methylphenyl)ethanimidamide has shown promise is in the development of treatments for neurological disorders. Neurodegenerative diseases such as Alzheimer's disease and Parkinson's disease are characterized by the aggregation of misfolded proteins, which can lead to neuronal dysfunction and death. Small molecules that can inhibit protein aggregation or promote protein clearance have been identified as potential therapeutic agents. The structural features of 2-(3-bromo-5-methylphenyl)ethanimidamide make it a suitable candidate for designing such molecules, as it can be modified to interact with specific regions of target proteins.
The synthesis of 2-(3-bromo-5-methylphenyl)ethanimidamide involves multi-step organic reactions that require careful optimization to ensure high yield and purity. Common synthetic routes include condensation reactions between appropriate precursors followed by functional group transformations such as bromination and methylation. Advances in synthetic methodologies have enabled researchers to produce this compound efficiently on both laboratory and industrial scales, facilitating its use in further research and development.
In conclusion, 2-(3-bromo-5-methylphenyl)ethanimidamide (CAS No. 2229616-12-8) is a versatile compound with significant potential in pharmaceutical research. Its unique structural features make it an attractive scaffold for designing novel therapeutic agents targeting various diseases. Ongoing research efforts continue to explore its full potential, paving the way for new treatments that could improve patient outcomes worldwide.
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