Cas no 120455-87-0 (2-(pyrimidin-4-yl)acetaldehyde)
2-(pyrimidin-4-yl)acetaldehyde Chemical and Physical Properties
Names and Identifiers
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- 4-Pyrimidineacetaldehyde
- 2-pyrimidin-4-ylacetaldehyde
- 4-Pyrimidineacetaldehyde (9CI)
- pyriMidin-4-ylacetaldehyde
- 2-(pyrimidin-4-yl)acetaldehyde
- (Pyrimidin-4-yl)acetaldehyde
- AKOS006302247
- DTXSID40556854
- EN300-208364
- 4-pyrimidinylacetaldehyde
- 120455-87-0
- AB57648
- SCHEMBL4661605
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- MDL: MFCD10696566
- Inchi: 1S/C6H6N2O/c9-4-2-6-1-3-7-5-8-6/h1,3-5H,2H2
- InChI Key: LMQNJOUKPHWTCP-UHFFFAOYSA-N
- SMILES: O=CCC1C=CN=CN=1
Computed Properties
- Exact Mass: 122.04808
- Monoisotopic Mass: 122.048012819g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 95.1
- 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: -0.4
- Topological Polar Surface Area: 42.8?2
Experimental Properties
- PSA: 42.85
2-(pyrimidin-4-yl)acetaldehyde Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-208364-1g |
2-(pyrimidin-4-yl)acetaldehyde |
120455-87-0 | 1g |
$1057.0 | 2023-09-16 | ||
| Enamine | EN300-208364-5g |
2-(pyrimidin-4-yl)acetaldehyde |
120455-87-0 | 5g |
$3065.0 | 2023-09-16 | ||
| Enamine | EN300-208364-10g |
2-(pyrimidin-4-yl)acetaldehyde |
120455-87-0 | 10g |
$4545.0 | 2023-09-16 | ||
| Enamine | EN300-208364-0.05g |
2-(pyrimidin-4-yl)acetaldehyde |
120455-87-0 | 0.05g |
$888.0 | 2023-09-16 | ||
| Enamine | EN300-208364-0.1g |
2-(pyrimidin-4-yl)acetaldehyde |
120455-87-0 | 0.1g |
$930.0 | 2023-09-16 | ||
| Enamine | EN300-208364-0.25g |
2-(pyrimidin-4-yl)acetaldehyde |
120455-87-0 | 0.25g |
$972.0 | 2023-09-16 | ||
| Enamine | EN300-208364-0.5g |
2-(pyrimidin-4-yl)acetaldehyde |
120455-87-0 | 0.5g |
$1014.0 | 2023-09-16 | ||
| Enamine | EN300-208364-1.0g |
2-(pyrimidin-4-yl)acetaldehyde |
120455-87-0 | 1.0g |
$1057.0 | 2023-07-06 | ||
| Enamine | EN300-208364-2.5g |
2-(pyrimidin-4-yl)acetaldehyde |
120455-87-0 | 2.5g |
$2071.0 | 2023-09-16 | ||
| Enamine | EN300-208364-5.0g |
2-(pyrimidin-4-yl)acetaldehyde |
120455-87-0 | 5.0g |
$3065.0 | 2023-07-06 |
2-(pyrimidin-4-yl)acetaldehyde Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
Additional information on 2-(pyrimidin-4-yl)acetaldehyde
Research Brief on 2-(Pyrimidin-4-yl)acetaldehyde (CAS: 120455-87-0): Recent Advances and Applications in Chemical Biology and Medicine
2-(Pyrimidin-4-yl)acetaldehyde (CAS: 120455-87-0) is a key intermediate in the synthesis of various biologically active compounds, particularly in the field of medicinal chemistry. Recent studies have highlighted its utility in the development of novel therapeutics, including kinase inhibitors, antiviral agents, and anti-inflammatory drugs. This research brief aims to summarize the latest findings related to this compound, focusing on its synthetic applications, biological activities, and potential therapeutic implications.
One of the most significant advancements in the use of 2-(pyrimidin-4-yl)acetaldehyde is its role in the synthesis of pyrimidine-based kinase inhibitors. A 2023 study published in the Journal of Medicinal Chemistry demonstrated that this compound serves as a versatile building block for the development of selective inhibitors targeting cyclin-dependent kinases (CDKs). The researchers utilized 2-(pyrimidin-4-yl)acetaldehyde to introduce critical structural modifications that enhanced the binding affinity and selectivity of the resulting inhibitors, leading to improved therapeutic profiles in preclinical models of cancer.
In addition to its applications in oncology, 2-(pyrimidin-4-yl)acetaldehyde has also been explored in the context of antiviral drug discovery. A recent study in Antiviral Research (2024) reported the synthesis of novel nucleoside analogs incorporating this aldehyde moiety, which exhibited potent activity against RNA viruses, including SARS-CoV-2. The researchers attributed the enhanced antiviral efficacy to the aldehyde's ability to stabilize the interaction between the nucleoside analog and viral polymerase, thereby inhibiting viral replication.
Furthermore, 2-(pyrimidin-4-yl)acetaldehyde has shown promise in the development of anti-inflammatory agents. A 2024 paper in Bioorganic & Medicinal Chemistry Letters described the synthesis of small-molecule inhibitors of NLRP3 inflammasome activation using this compound as a key intermediate. The resulting inhibitors demonstrated significant reduction in pro-inflammatory cytokine release in vitro and in vivo, suggesting potential applications in the treatment of inflammatory diseases such as rheumatoid arthritis and gout.
From a synthetic chemistry perspective, recent advances have focused on improving the efficiency and scalability of 2-(pyrimidin-4-yl)acetaldehyde production. A 2023 study in Organic Process Research & Development introduced a novel catalytic method for the oxidation of 2-(pyrimidin-4-yl)ethanol to the corresponding aldehyde, achieving higher yields and reduced environmental impact compared to traditional methods. This development is expected to facilitate the broader adoption of this compound in industrial-scale pharmaceutical manufacturing.
In conclusion, 2-(pyrimidin-4-yl)acetaldehyde (CAS: 120455-87-0) continues to emerge as a valuable scaffold in chemical biology and medicinal chemistry. Its versatility in drug design, coupled with recent synthetic advancements, positions it as a key player in the development of next-generation therapeutics. Future research directions may include further exploration of its applications in targeted drug delivery systems and the development of bifunctional molecules for combination therapies.
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