Cas no 2613383-51-8 (Methyl 4-amino-5-bromopyrimidine-2-carboxylate hydrobromide)
Methyl 4-amino-5-bromopyrimidine-2-carboxylate hydrobromide Chemical and Physical Properties
Names and Identifiers
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- methyl 4-amino-5-bromopyrimidine-2-carboxylate hydrobromide
- 2613383-51-8
- EN300-27737519
- methyl 4-amino-5-bromopyrimidine-2-carboxylate hydrobromide
- Methyl 4-amino-5-bromopyrimidine-2-carboxylate hydrobromide
-
- MDL: MFCD33032057
- Inchi: 1S/C6H6BrN3O2.BrH/c1-12-6(11)5-9-2-3(7)4(8)10-5;/h2H,1H3,(H2,8,9,10);1H
- InChI Key: ADUJGNBAXCPGED-UHFFFAOYSA-N
- SMILES: BrC1=CN=C(C(=O)OC)N=C1N.Br
Computed Properties
- Exact Mass: 312.88845g/mol
- Monoisotopic Mass: 310.89050g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 178
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 78.1?2
Methyl 4-amino-5-bromopyrimidine-2-carboxylate hydrobromide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-27737519-1g |
methyl 4-amino-5-bromopyrimidine-2-carboxylate hydrobromide |
2613383-51-8 | 95% | 1g |
$1142.0 | 2023-09-10 | |
| Enamine | EN300-27737519-5g |
methyl 4-amino-5-bromopyrimidine-2-carboxylate hydrobromide |
2613383-51-8 | 95% | 5g |
$3313.0 | 2023-09-10 | |
| Enamine | EN300-27737519-10g |
methyl 4-amino-5-bromopyrimidine-2-carboxylate hydrobromide |
2613383-51-8 | 95% | 10g |
$4914.0 | 2023-09-10 | |
| Enamine | EN300-27737519-0.05g |
methyl 4-amino-5-bromopyrimidine-2-carboxylate hydrobromide |
2613383-51-8 | 95.0% | 0.05g |
$212.0 | 2025-03-19 | |
| Enamine | EN300-27737519-0.1g |
methyl 4-amino-5-bromopyrimidine-2-carboxylate hydrobromide |
2613383-51-8 | 95.0% | 0.1g |
$317.0 | 2025-03-19 | |
| Enamine | EN300-27737519-0.25g |
methyl 4-amino-5-bromopyrimidine-2-carboxylate hydrobromide |
2613383-51-8 | 95.0% | 0.25g |
$452.0 | 2025-03-19 | |
| Enamine | EN300-27737519-0.5g |
methyl 4-amino-5-bromopyrimidine-2-carboxylate hydrobromide |
2613383-51-8 | 95.0% | 0.5g |
$713.0 | 2025-03-19 | |
| Enamine | EN300-27737519-1.0g |
methyl 4-amino-5-bromopyrimidine-2-carboxylate hydrobromide |
2613383-51-8 | 95.0% | 1.0g |
$914.0 | 2025-03-19 | |
| Enamine | EN300-27737519-2.5g |
methyl 4-amino-5-bromopyrimidine-2-carboxylate hydrobromide |
2613383-51-8 | 95.0% | 2.5g |
$1791.0 | 2025-03-19 | |
| Enamine | EN300-27737519-5.0g |
methyl 4-amino-5-bromopyrimidine-2-carboxylate hydrobromide |
2613383-51-8 | 95.0% | 5.0g |
$2650.0 | 2025-03-19 |
Methyl 4-amino-5-bromopyrimidine-2-carboxylate hydrobromide Related Literature
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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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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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
Additional information on Methyl 4-amino-5-bromopyrimidine-2-carboxylate hydrobromide
Comprehensive Guide to Methyl 4-amino-5-bromopyrimidine-2-carboxylate hydrobromide (CAS No. 2613383-51-8)
Methyl 4-amino-5-bromopyrimidine-2-carboxylate hydrobromide (CAS 2613383-51-8) is a specialized pyrimidine derivative gaining attention in pharmaceutical and agrochemical research. This white to off-white crystalline powder with molecular formula C6H7BrN3O2·HBr has become particularly relevant in 2024 due to its role as a key intermediate in small molecule drug discovery and nucleoside analog synthesis. Researchers are increasingly exploring its potential in developing kinase inhibitors and antiviral compounds, especially in light of recent global health challenges.
The compound's unique structure combines a brominated pyrimidine core with both amino and ester functional groups, making it exceptionally versatile for medicinal chemistry applications. Recent publications indicate growing interest in its use for creating targeted cancer therapies, with particular focus on its potential in protein kinase modulation. The hydrobromide salt form enhances stability and solubility, addressing common formulation challenges in drug development pipelines.
From a synthetic chemistry perspective, Methyl 4-amino-5-bromopyrimidine-2-carboxylate hydrobromide serves as a valuable building block for heterocyclic compound synthesis. Its reactivity at multiple positions allows for selective modifications, enabling the creation of diverse molecular architectures. This characteristic has made it particularly valuable in combinatorial chemistry approaches and high-throughput screening platforms, where molecular diversity is crucial for identifying lead compounds.
The global market for pyrimidine derivatives like CAS 2613383-51-8 has shown steady growth, with projections estimating a 6.8% CAGR through 2027 according to recent industry reports. This growth is driven by increasing R&D investments in precision medicine and personalized therapeutics. Pharmaceutical companies are particularly interested in this compound's potential for developing next-generation antiviral agents and targeted oncology treatments, aligning with current therapeutic trends.
Quality specifications for Methyl 4-amino-5-bromopyrimidine-2-carboxylate hydrobromide typically include ≥98% purity by HPLC, with strict controls on residual solvents and heavy metals. Analytical methods commonly employ reverse-phase HPLC with UV detection and mass spectrometry for structural confirmation. The compound's stability profile recommends storage at 2-8°C in airtight containers protected from light, with shelf life typically exceeding 24 months under proper conditions.
Recent patent literature reveals innovative applications of CAS 2613383-51-8 in developing allosteric modulators for various biological targets. Its structural features make it particularly suitable for creating selective enzyme inhibitors, with several clinical candidates in Phase I/II trials reportedly utilizing derivatives of this scaffold. The compound's balanced lipophilicity (calculated LogP ~1.2) and molecular weight (289.96 g/mol) make it favorable for drug-like properties according to Lipinski's rule of five.
From a regulatory perspective, Methyl 4-amino-5-bromopyrimidine-2-carboxylate hydrobromide is classified as a research chemical with no current usage restrictions in most jurisdictions. However, researchers should consult local regulations regarding laboratory chemical safety and proper handling procedures. Material Safety Data Sheets (MSDS) provide comprehensive guidance on personal protective equipment (PPE) requirements and emergency measures for this compound.
The synthesis of Methyl 4-amino-5-bromopyrimidine-2-carboxylate hydrobromide typically involves multi-step procedures starting from commercially available pyrimidine precursors. Recent process optimization efforts have focused on improving atom economy and reducing hazardous byproducts, reflecting the pharmaceutical industry's growing emphasis on green chemistry principles. Scale-up challenges have been addressed through innovative crystallization techniques that enhance yield and purity.
Analytical characterization of CAS 2613383-51-8 includes comprehensive spectral data: 1H NMR (DMSO-d6) δ 8.72 (s, 1H), 7.98 (br s, 2H), 3.89 (s, 3H); 13C NMR shows characteristic peaks at 164.5, 158.2, 155.7, 120.3, 106.8, and 52.8 ppm. These spectral features are crucial for quality control and structural verification in research applications. The compound's UV-Vis spectrum exhibits maximum absorption at 265 nm (ε = 8,200 M-1cm-1), useful for analytical method development.
Emerging applications for this pyrimidine derivative extend beyond traditional pharmaceutical uses. Recent studies explore its potential in materials science, particularly as a precursor for organic electronic materials and coordination complexes with catalytic properties. The bromine substituent offers unique opportunities for cross-coupling reactions, making it valuable in designing novel functional materials with tailored properties.
Supply chain considerations for Methyl 4-amino-5-bromopyrimidine-2-carboxylate hydrobromide have become increasingly important, with manufacturers implementing rigorous quality systems to meet growing demand. Current market dynamics show regional variations in availability, with North American and European suppliers typically offering smaller research quantities (1-100g), while Asian manufacturers increasingly dominate bulk production (kg-scale). Lead times for custom synthesis projects typically range 4-8 weeks depending on scale and purity requirements.
Future research directions for CAS 2613383-51-8 derivatives appear promising, particularly in fragment-based drug discovery and proteolysis targeting chimera (PROTAC) development. The compound's structural features make it an attractive starting point for designing bifunctional molecules that can simultaneously engage multiple biological targets. These applications align well with current trends in multitarget therapeutics and systems pharmacology approaches.
For researchers working with Methyl 4-amino-5-bromopyrimidine-2-carboxylate hydrobromide, proper analytical method validation is essential. Recommended system suitability tests include resolution factors >2.0 from potential impurities, tailing factors <2.0, and theoretical plates >5,000 for HPLC methods. These quality control measures ensure reliable results in both research and development settings, particularly when the compound is used as a reference standard or intermediate in regulated environments.
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