Cas no 500341-46-8 (2-(4-Amino-5-cyanopyrimidin-2-yl)sulfanylacetic acid)
2-(4-Amino-5-cyanopyrimidin-2-yl)sulfanylacetic acid Chemical and Physical Properties
Names and Identifiers
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- NSC108226
- 2-[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]acetic acid
- 2-(4-Amino-5-cyanopyrimidin-2-yl)sulfanylacetic acid
- Acetic acid, 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-
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- Inchi: 1S/C7H6N4O2S/c8-1-4-2-10-7(11-6(4)9)14-3-5(12)13/h2H,3H2,(H,12,13)(H2,9,10,11)
- InChI Key: QVEMAQPGGKXWGZ-UHFFFAOYSA-N
- SMILES: S(CC(=O)O)C1N=CC(C#N)=C(N)N=1
Computed Properties
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 264
- XLogP3: 0.6
- Topological Polar Surface Area: 138
2-(4-Amino-5-cyanopyrimidin-2-yl)sulfanylacetic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-762817-0.05g |
2-[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]acetic acid |
500341-46-8 | 95.0% | 0.05g |
$563.0 | 2025-03-22 | |
| Enamine | EN300-762817-0.1g |
2-[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]acetic acid |
500341-46-8 | 95.0% | 0.1g |
$591.0 | 2025-03-22 | |
| Enamine | EN300-762817-0.25g |
2-[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]acetic acid |
500341-46-8 | 95.0% | 0.25g |
$617.0 | 2025-03-22 | |
| Enamine | EN300-762817-0.5g |
2-[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]acetic acid |
500341-46-8 | 95.0% | 0.5g |
$645.0 | 2025-03-22 | |
| Enamine | EN300-762817-1.0g |
2-[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]acetic acid |
500341-46-8 | 95.0% | 1.0g |
$671.0 | 2025-03-22 | |
| Enamine | EN300-762817-2.5g |
2-[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]acetic acid |
500341-46-8 | 95.0% | 2.5g |
$1315.0 | 2025-03-22 | |
| Enamine | EN300-762817-5.0g |
2-[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]acetic acid |
500341-46-8 | 95.0% | 5.0g |
$1945.0 | 2025-03-22 | |
| Enamine | EN300-762817-10.0g |
2-[(4-amino-5-cyanopyrimidin-2-yl)sulfanyl]acetic acid |
500341-46-8 | 95.0% | 10.0g |
$2884.0 | 2025-03-22 |
2-(4-Amino-5-cyanopyrimidin-2-yl)sulfanylacetic acid Related Literature
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
Additional information on 2-(4-Amino-5-cyanopyrimidin-2-yl)sulfanylacetic acid
Comprehensive Overview of 2-(4-Amino-5-cyanopyrimidin-2-yl)sulfanylacetic acid (CAS No. 500341-46-8)
2-(4-Amino-5-cyanopyrimidin-2-yl)sulfanylacetic acid (CAS 500341-46-8) is a specialized pyrimidine derivative with significant applications in pharmaceutical research and organic synthesis. This compound features a unique molecular structure combining a cyanopyrimidine core with a sulfanylacetic acid side chain, making it a versatile intermediate for drug discovery. Researchers frequently explore its potential in designing kinase inhibitors and anticancer agents, aligning with current trends in precision medicine and targeted therapy.
The growing interest in heterocyclic compounds like 500341-46-8 reflects broader industry demands for small-molecule modulators in biochemical pathways. Recent studies highlight its role in optimizing structure-activity relationships (SAR) for enzyme inhibition, particularly in ATP-binding sites. Its amino-cyanopyrimidine moiety is pivotal for hydrogen bonding interactions, a hot topic in computational chemistry and AI-driven drug design workflows.
From a synthetic perspective, 2-(4-Amino-5-cyanopyrimidin-2-yl)sulfanylacetic acid exemplifies advancements in green chemistry protocols. Modern catalytic methods now enable efficient production while minimizing waste—a critical consideration given rising ESG (Environmental, Social, and Governance) standards in chemical manufacturing. Analytical techniques such as HPLC-MS and NMR spectroscopy ensure rigorous quality control for this high-purity intermediate.
Market analysts note increasing patent filings involving CAS 500341-46-8, particularly for immunomodulatory applications and metabolic disorder treatments. Its sulfhydryl group reactivity also makes it valuable for bioconjugation strategies—an area gaining traction in antibody-drug conjugate (ADC) development. These trends correlate with search engine data showing surges in queries like "pyrimidine-based drug candidates 2024" and "cyanopyrimidine solubility optimization".
Storage and handling of 500341-46-8 require attention to its zwitterionic character under physiological pH conditions. Technical documents recommend anhydrous environments for long-term stability, addressing common user questions about compound degradation pathways. The material's crystalline form has been characterized by X-ray diffraction, providing structural insights valuable for co-crystal engineering studies.
Emerging applications in proteomics research leverage this compound's ability to modify cysteine residues, reflecting cross-disciplinary interest from chemical biology communities. Recent publications demonstrate its utility in activity-based protein profiling (ABPP), a technique revolutionizing target identification workflows. Such innovations position 2-(4-Amino-5-cyanopyrimidin-2-yl)sulfanylacetic acid as a keystone in next-generation pharmacophores.
Regulatory compliance for CAS 500341-46-8 follows standard REACH and GMP guidelines, with suppliers providing detailed certificates of analysis (CoA). The compound's logP and pKa data support ADMET predictions—a frequent search topic among medicinal chemistry professionals. Custom synthesis services now offer isotope-labeled (13C/15N) versions for advanced tracer studies.
In conclusion, 2-(4-Amino-5-cyanopyrimidin-2-yl)sulfanylacetic acid represents a compelling case study in functionalized pyrimidines with multidimensional utility. Its evolving applications across drug discovery, materials science, and diagnostic reagent development underscore the compound's relevance in contemporary research landscapes. Continued innovation around this scaffold will likely yield novel solutions for therapeutic challenges identified through high-throughput screening initiatives.
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