Cas no 2229445-07-0 (3-(5-bromopyrimidin-2-yl)-2,2-dimethylpropanoic acid)
3-(5-bromopyrimidin-2-yl)-2,2-dimethylpropanoic acid Chemical and Physical Properties
Names and Identifiers
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- 3-(5-bromopyrimidin-2-yl)-2,2-dimethylpropanoic acid
- EN300-1925605
- 2229445-07-0
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- Inchi: 1S/C9H11BrN2O2/c1-9(2,8(13)14)3-7-11-4-6(10)5-12-7/h4-5H,3H2,1-2H3,(H,13,14)
- InChI Key: HCAAIAPASUYCEW-UHFFFAOYSA-N
- SMILES: BrC1C=NC(CC(C(=O)O)(C)C)=NC=1
Computed Properties
- Exact Mass: 258.00039g/mol
- Monoisotopic Mass: 258.00039g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 213
- 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: 1.6
- Topological Polar Surface Area: 63.1?2
3-(5-bromopyrimidin-2-yl)-2,2-dimethylpropanoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1925605-0.05g |
3-(5-bromopyrimidin-2-yl)-2,2-dimethylpropanoic acid |
2229445-07-0 | 0.05g |
$983.0 | 2023-09-17 | ||
| Enamine | EN300-1925605-0.1g |
3-(5-bromopyrimidin-2-yl)-2,2-dimethylpropanoic acid |
2229445-07-0 | 0.1g |
$1031.0 | 2023-09-17 | ||
| Enamine | EN300-1925605-0.25g |
3-(5-bromopyrimidin-2-yl)-2,2-dimethylpropanoic acid |
2229445-07-0 | 0.25g |
$1078.0 | 2023-09-17 | ||
| Enamine | EN300-1925605-0.5g |
3-(5-bromopyrimidin-2-yl)-2,2-dimethylpropanoic acid |
2229445-07-0 | 0.5g |
$1124.0 | 2023-09-17 | ||
| Enamine | EN300-1925605-1.0g |
3-(5-bromopyrimidin-2-yl)-2,2-dimethylpropanoic acid |
2229445-07-0 | 1g |
$1172.0 | 2023-05-31 | ||
| Enamine | EN300-1925605-2.5g |
3-(5-bromopyrimidin-2-yl)-2,2-dimethylpropanoic acid |
2229445-07-0 | 2.5g |
$2295.0 | 2023-09-17 | ||
| Enamine | EN300-1925605-5.0g |
3-(5-bromopyrimidin-2-yl)-2,2-dimethylpropanoic acid |
2229445-07-0 | 5g |
$3396.0 | 2023-05-31 | ||
| Enamine | EN300-1925605-10.0g |
3-(5-bromopyrimidin-2-yl)-2,2-dimethylpropanoic acid |
2229445-07-0 | 10g |
$5037.0 | 2023-05-31 | ||
| Enamine | EN300-1925605-1g |
3-(5-bromopyrimidin-2-yl)-2,2-dimethylpropanoic acid |
2229445-07-0 | 1g |
$1172.0 | 2023-09-17 | ||
| Enamine | EN300-1925605-5g |
3-(5-bromopyrimidin-2-yl)-2,2-dimethylpropanoic acid |
2229445-07-0 | 5g |
$3396.0 | 2023-09-17 |
3-(5-bromopyrimidin-2-yl)-2,2-dimethylpropanoic acid Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
Additional information on 3-(5-bromopyrimidin-2-yl)-2,2-dimethylpropanoic acid
Introduction to 3-(5-bromopyrimidin-2-yl)-2,2-dimethylpropanoic acid (CAS No. 2229445-07-0)
3-(5-bromopyrimidin-2-yl)-2,2-dimethylpropanoic acid, identified by the Chemical Abstracts Service Number (CAS No.) 2229445-07-0, is a significant compound in the realm of pharmaceutical and biochemical research. This compound belongs to the class of pyrimidine derivatives, which are widely recognized for their diverse biological activities and therapeutic potential. The structural motif of this molecule incorporates a 5-bromopyrimidin-2-yl group, which is a key pharmacophore that contributes to its unique chemical and biological properties. The presence of a 2,2-dimethylpropanoic acid moiety further enhances its molecular complexity and reactivity, making it a valuable scaffold for drug discovery and medicinal chemistry applications.
The synthesis and characterization of 3-(5-bromopyrimidin-2-yl)-2,2-dimethylpropanoic acid have garnered considerable attention in recent years due to its potential applications in the development of novel therapeutic agents. Pyrimidine derivatives are well-documented for their role in various biological processes, including DNA replication, transcription, and translation. The 5-bromopyrimidin-2-yl substituent, in particular, has been extensively studied for its ability to modulate enzyme activity and interact with biological targets. This feature makes the compound a promising candidate for the design of inhibitors targeting key enzymes involved in diseases such as cancer, inflammation, and infectious disorders.
In the context of modern drug discovery, the structural versatility of 3-(5-bromopyrimidin-2-yl)-2,2-dimethylpropanoic acid allows for further functionalization and derivatization. Researchers have leveraged this compound as a building block to develop libraries of analogs with enhanced pharmacological properties. The dimethylpropanoic acid group provides a hydrophobic anchor that can improve membrane permeability and binding affinity to biological targets. This dual functionality has been exploited in the design of small-molecule drugs that exhibit improved solubility and bioavailability.
Recent advancements in computational chemistry and high-throughput screening have accelerated the process of identifying novel bioactive compounds derived from 3-(5-bromopyrimidin-2-yl)-2,2-dimethylpropanoic acid. These methodologies have enabled researchers to rapidly assess the binding interactions of this compound with various protein targets, facilitating the identification of lead compounds for further optimization. For instance, studies have demonstrated that derivatives of this molecule can interact with kinases and other enzymes implicated in cancer progression. The ability to modulate these enzymatic pathways holds significant promise for the development of targeted therapies.
The chemical properties of 3-(5-bromopyrimidin-2-yl)-2,2-dimethylpropanoic acid also make it a valuable tool in biochemical research. Its reactivity allows for conjugation with other biomolecules, such as peptides and proteins, enabling the development of novel probes and diagnostic agents. Additionally, the compound’s stability under various conditions makes it suitable for industrial-scale synthesis and formulation into pharmaceutical products.
In summary,3-(5-bromopyrimidin-2-yl)-2,2-dimethylpropanoic acid (CAS No. 2229445-07-0) represents a compelling example of how structural diversity can be harnessed to develop innovative therapeutic agents. Its unique combination of pharmacophoric elements positions it as a versatile intermediate in drug discovery efforts aimed at addressing unmet medical needs. As research continues to uncover new applications for this compound, its significance in pharmaceutical chemistry is likely to grow further.
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