Cas no 115102-54-0 (2-{4-Amino-5-(ethoxycarbonyl)pyrimidin-2-ylsulfanyl}acetic Acid)
2-{4-Amino-5-(ethoxycarbonyl)pyrimidin-2-ylsulfanyl}acetic Acid Chemical and Physical Properties
Names and Identifiers
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- 2-((4-Amino-5-(ethoxycarbonyl)pyrimidin-2-yl)thio)acetic acid
- {[4-AMINO-5-(ETHOXYCARBONYL)PYRIMIDIN-2-YL]THIO}ACETIC ACID
- 2-(4-amino-5-ethoxycarbonylpyrimidin-2-yl)sulfanylacetic acid
- 5-Pyrimidinecarboxylicacid, 4-amino-2-[(carboxymethyl)thio]-, 5-ethyl ester
- {[4-amino-5-(ethoxycarbonyl)pyrimidin-2-yl]sulfanyl}acetate
- {[4-amino-5-(ethoxycarbonyl)pyrimidin-2-yl]sulfanyl}acetic acid
- BDBM50306756
- 115102-54-0
- 5-Pyrimidinecarboxylic acid, 4-amino-2-[(carboxymethyl)thio]-, 5-ethyl ester
- DTXSID40353648
- CCG-164989
- EN300-11576
- AKOS001106607
- 2-{[4-amino-5-(ethoxycarbonyl)pyrimidin-2-yl]sulfanyl}acetic acid
- CS-0223549
- 2-((4-Amino-5-(ethoxycarbonyl)pyrimidin-2-yl)thio)aceticacid
- SB59316
- AB00981099-01
- Z57052845
- 2-(4-amino-5-(ethoxycarbonyl)pyrimidin-2-ylthio)acetic acid
- CHEMBL601658
- AK-968/15359035
- AG-690/12767225
- {[5-(ethoxycarbonyl)-4-imino-1,4-dihydro-2-pyrimidinyl]sulfanyl}acetic acid
- DB-345076
- {[4-AMINO-5-(ETHOXYCARBONYL)PYRIMIDIN-2-YL]THIO}ACETICACID
- 2-{4-Amino-5-(ethoxycarbonyl)pyrimidin-2-ylsulfanyl}acetic Acid
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- MDL: MFCD00435081
- Inchi: 1S/C9H11N3O4S/c1-2-16-8(15)5-3-11-9(12-7(5)10)17-4-6(13)14/h3H,2,4H2,1H3,(H,13,14)(H2,10,11,12)
- InChI Key: KXVUMCRNMDWQHQ-UHFFFAOYSA-N
- SMILES: S(CC(=O)O)C1=NC=C(C(=O)OCC)C(N)=N1
Computed Properties
- Exact Mass: 256.0393
- Monoisotopic Mass: 256.039202
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 17
- Rotatable Bond Count: 6
- Complexity: 284
- 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
- Topological Polar Surface Area: 144
- XLogP3: 1.1
Experimental Properties
- Density: 1.48
- Boiling Point: 481.7°Cat760mmHg
- Flash Point: 245.1°C
- PSA: 118.23
2-{4-Amino-5-(ethoxycarbonyl)pyrimidin-2-ylsulfanyl}acetic Acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | A631740-50mg |
2-{[4-Amino-5-(ethoxycarbonyl)pyrimidin-2-yl]sulfanyl}acetic Acid |
115102-54-0 | 50mg |
$ 50.00 | 2022-06-07 | ||
| TRC | A631740-100mg |
2-{[4-Amino-5-(ethoxycarbonyl)pyrimidin-2-yl]sulfanyl}acetic Acid |
115102-54-0 | 100mg |
$ 70.00 | 2022-06-07 | ||
| TRC | A631740-500mg |
2-{[4-Amino-5-(ethoxycarbonyl)pyrimidin-2-yl]sulfanyl}acetic Acid |
115102-54-0 | 500mg |
$ 295.00 | 2022-06-07 | ||
| Chemenu | CM371880-250mg |
2-((4-Amino-5-(ethoxycarbonyl)pyrimidin-2-yl)thio)acetic acid |
115102-54-0 | 95%+ | 250mg |
$130 | 2023-02-03 | |
| Chemenu | CM371880-500mg |
2-((4-Amino-5-(ethoxycarbonyl)pyrimidin-2-yl)thio)acetic acid |
115102-54-0 | 95%+ | 500mg |
$212 | 2023-02-03 | |
| Chemenu | CM371880-1g |
2-((4-Amino-5-(ethoxycarbonyl)pyrimidin-2-yl)thio)acetic acid |
115102-54-0 | 95%+ | 1g |
$319 | 2023-02-03 | |
| Enamine | EN300-11576-0.05g |
2-{[4-amino-5-(ethoxycarbonyl)pyrimidin-2-yl]sulfanyl}acetic acid |
115102-54-0 | 95% | 0.05g |
$127.0 | 2023-02-09 | |
| Enamine | EN300-11576-0.1g |
2-{[4-amino-5-(ethoxycarbonyl)pyrimidin-2-yl]sulfanyl}acetic acid |
115102-54-0 | 95% | 0.1g |
$189.0 | 2023-02-09 | |
| Enamine | EN300-11576-0.25g |
2-{[4-amino-5-(ethoxycarbonyl)pyrimidin-2-yl]sulfanyl}acetic acid |
115102-54-0 | 95% | 0.25g |
$269.0 | 2023-02-09 | |
| Enamine | EN300-11576-0.5g |
2-{[4-amino-5-(ethoxycarbonyl)pyrimidin-2-yl]sulfanyl}acetic acid |
115102-54-0 | 95% | 0.5g |
$424.0 | 2023-02-09 |
2-{4-Amino-5-(ethoxycarbonyl)pyrimidin-2-ylsulfanyl}acetic 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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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
Additional information on 2-{4-Amino-5-(ethoxycarbonyl)pyrimidin-2-ylsulfanyl}acetic Acid
Comprehensive Overview of 2-{4-Amino-5-(ethoxycarbonyl)pyrimidin-2-ylsulfanyl}acetic Acid (CAS No. 115102-54-0)
2-{4-Amino-5-(ethoxycarbonyl)pyrimidin-2-ylsulfanyl}acetic Acid (CAS No. 115102-54-0) is a specialized organic compound with significant applications in pharmaceutical and agrochemical research. This compound, characterized by its pyrimidine core and sulfanylacetic acid moiety, has garnered attention for its potential in drug discovery and biochemical studies. Researchers are increasingly exploring its role as a building block for synthesizing novel therapeutic agents, particularly in the development of enzyme inhibitors and antiviral compounds.
The structural uniqueness of 2-{4-Amino-5-(ethoxycarbonyl)pyrimidin-2-ylsulfanyl}acetic Acid lies in its ethoxycarbonyl and amino functional groups, which enhance its reactivity and compatibility with various chemical transformations. Recent studies highlight its utility in peptide coupling reactions and as a precursor for heterocyclic compounds. With the growing demand for green chemistry solutions, this compound is also being investigated for its potential in sustainable synthesis methods, aligning with global trends toward environmentally friendly research practices.
In the context of drug design, 2-{4-Amino-5-(ethoxycarbonyl)pyrimidin-2-ylsulfanyl}acetic Acid is valued for its ability to modulate biological activity. Its pyrimidine scaffold is a common feature in many FDA-approved drugs, making it a promising candidate for medicinal chemistry applications. Researchers are particularly interested in its potential to target protein-protein interactions, a hot topic in modern pharmacology. Additionally, its sulfanyl group offers opportunities for covalent binding strategies, which are gaining traction in the development of next-generation therapeutics.
The compound’s CAS No. 115102-54-0 is frequently searched in academic and industrial databases, reflecting its relevance in high-throughput screening and combinatorial chemistry. As the pharmaceutical industry shifts toward precision medicine, the demand for versatile chemical intermediates like this one is expected to rise. Its compatibility with automated synthesis platforms further enhances its appeal for large-scale drug discovery projects.
From an analytical chemistry perspective, 2-{4-Amino-5-(ethoxycarbonyl)pyrimidin-2-ylsulfanyl}acetic Acid poses interesting challenges and opportunities. Advanced techniques such as NMR spectroscopy and mass spectrometry are often employed to characterize its purity and stability. These analyses are critical for ensuring its suitability in GMP-compliant manufacturing processes, a key consideration for pharmaceutical developers.
In summary, 2-{4-Amino-5-(ethoxycarbonyl)pyrimidin-2-ylsulfanyl}acetic Acid (CAS No. 115102-54-0) represents a versatile and valuable compound in contemporary chemical research. Its multifaceted applications—from drug discovery to sustainable chemistry—underscore its importance in addressing some of the most pressing challenges in science today. As research continues to evolve, this compound is poised to play an even greater role in advancing innovative therapeutic solutions.
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