Cas no 1367269-22-4 (1-(5-amino-1,2-oxazol-3-yl)propan-1-one)
1-(5-amino-1,2-oxazol-3-yl)propan-1-one Chemical and Physical Properties
Names and Identifiers
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- 1-(5-aminoisoxazol-3-yl)propan-1-one
- 1-(5-amino-1,2-oxazol-3-yl)propan-1-one
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- MDL: MFCD24645233
- Inchi: 1S/C6H8N2O2/c1-2-5(9)4-3-6(7)10-8-4/h3H,2,7H2,1H3
- InChI Key: IXPAMXRJZXQQBY-UHFFFAOYSA-N
- SMILES: C(C1C=C(N)ON=1)(=O)CC
Computed Properties
- Exact Mass: 140.059
- Monoisotopic Mass: 140.059
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 138
- 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: 69.1A^2
1-(5-amino-1,2-oxazol-3-yl)propan-1-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Chemenu | CM500999-1g |
1-(5-Aminoisoxazol-3-yl)propan-1-one |
1367269-22-4 | 97% | 1g |
$466 | 2023-01-07 | |
| Enamine | EN300-219064-1g |
1-(5-amino-1,2-oxazol-3-yl)propan-1-one |
1367269-22-4 | 95% | 1g |
$2620.0 | 2023-09-16 | |
| Enamine | EN300-219064-5g |
1-(5-amino-1,2-oxazol-3-yl)propan-1-one |
1367269-22-4 | 95% | 5g |
$7600.0 | 2023-09-16 | |
| Enamine | EN300-219064-10g |
1-(5-amino-1,2-oxazol-3-yl)propan-1-one |
1367269-22-4 | 95% | 10g |
$11268.0 | 2023-09-16 | |
| Enamine | EN300-219064-0.05g |
1-(5-amino-1,2-oxazol-3-yl)propan-1-one |
1367269-22-4 | 95% | 0.05g |
$695.0 | 2023-09-16 | |
| Enamine | EN300-219064-0.1g |
1-(5-amino-1,2-oxazol-3-yl)propan-1-one |
1367269-22-4 | 95% | 0.1g |
$909.0 | 2023-09-16 | |
| Enamine | EN300-219064-0.25g |
1-(5-amino-1,2-oxazol-3-yl)propan-1-one |
1367269-22-4 | 95% | 0.25g |
$1297.0 | 2023-09-16 | |
| Enamine | EN300-219064-0.5g |
1-(5-amino-1,2-oxazol-3-yl)propan-1-one |
1367269-22-4 | 95% | 0.5g |
$2045.0 | 2023-09-16 | |
| Enamine | EN300-219064-1.0g |
1-(5-amino-1,2-oxazol-3-yl)propan-1-one |
1367269-22-4 | 95% | 1g |
$0.0 | 2023-06-08 | |
| Enamine | EN300-219064-2.5g |
1-(5-amino-1,2-oxazol-3-yl)propan-1-one |
1367269-22-4 | 95% | 2.5g |
$5136.0 | 2023-09-16 |
1-(5-amino-1,2-oxazol-3-yl)propan-1-one Related Literature
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
Additional information on 1-(5-amino-1,2-oxazol-3-yl)propan-1-one
Professional Introduction to Compound with CAS No. 1367269-22-4 and Product Name: 1-(5-amino-1,2-oxazol-3-yl)propan-1-one
1-(5-amino-1,2-oxazol-3-yl)propan-1-one, identified by the CAS number 1367269-22-4, is a significant compound in the field of pharmaceutical chemistry and bioorganic synthesis. This compound belongs to the class of oxazole derivatives, which have garnered considerable attention due to their diverse biological activities and potential applications in drug development. The structural motif of this molecule, featuring a 5-amino-1,2-oxazol-3-yl substituent attached to a propan-1-one backbone, imparts unique chemical and pharmacological properties that make it a valuable scaffold for medicinal chemistry investigations.
The 5-amino-1,2-oxazol-3-yl moiety is particularly noteworthy for its role in modulating biological pathways. Oxazole heterocycles are known for their stability and ability to engage with various biological targets, including enzymes and receptors. The presence of an amino group at the 5-position enhances the reactivity of the oxazole ring, allowing for further functionalization and derivatization. This feature is particularly useful in designing molecules with tailored pharmacokinetic profiles and improved binding affinity.
Recent advancements in the field of drug discovery have highlighted the importance of oxazole derivatives in addressing various therapeutic challenges. For instance, studies have demonstrated that oxazole-based compounds exhibit inhibitory activity against multiple targets implicated in inflammatory diseases, infectious disorders, and cancer. The 1-(5-amino-1,2-oxazol-3-yl)propan-1-one structure serves as a versatile platform for generating novel analogs with enhanced efficacy and reduced toxicity. The propanone moiety provides a handle for further chemical modifications, enabling the synthesis of libraries of compounds that can be screened for biological activity.
In the context of medicinal chemistry, the development of propanone-based scaffolds has been particularly fruitful. These compounds often exhibit favorable solubility characteristics and can be easily modified to optimize pharmacokinetic properties. The combination of the 5-amino-1,2-oxazol-3-yl group with the propanone backbone creates a molecule that is both structurally interesting and biologically relevant. This has led to its investigation as a potential lead compound in several drug discovery campaigns.
One area where this compound has shown promise is in the treatment of neurological disorders. Oxazole derivatives have been reported to interact with neurotransmitter systems, suggesting their potential as therapeutics for conditions such as epilepsy and neurodegenerative diseases. The amino group in 1-(5-amino-1,2-oxazol-3-yl)propan-1-one allows for interactions with basic amino acid residues in target proteins, which can modulate enzyme activity or receptor binding. This property makes it an attractive candidate for further exploration in preclinical studies.
The synthesis of 1-(5-amino-1,2-oxazol-3-yl)propan-1-one involves multi-step organic transformations that highlight the synthetic versatility of oxazole chemistry. The preparation typically begins with the formation of an oxazole ring through cyclocondensation reactions, followed by functionalization at the 5-position with an amino group. The introduction of the propanone moiety is then achieved through condensation or oxidation reactions. These synthetic routes underscore the accessibility of this compound and its potential for large-scale production if needed.
From a computational chemistry perspective, virtual screening methods have been employed to identify potential hits from libraries containing oxazole derivatives like 1-(5-amino-1,2-oaxzol3y]propan-l-one*. Molecular docking studies have revealed that this compound can bind effectively to various protein targets, including kinases and metabolic enzymes. These interactions are mediated by hydrogen bonding between the amino group and polar residues in the binding pocket, as well as hydrophobic interactions involving the aromatic portions of the molecule.
The pharmacological profile of 1367269224 (CAS No.) has been preliminarily assessed through in vitro assays. Initial results indicate that it exhibits moderate inhibitory activity against certain enzymes associated with inflammation and cell proliferation. These findings are consistent with previous reports on related oxazole compounds and warrant further investigation into its therapeutic potential. Additional studies are needed to fully elucidate its mechanism of action and to evaluate its safety profile.
The development of new drugs often requires careful consideration of synthetic pathways to ensure scalability and cost-effectiveness. In this regard, 1367269224 (CAS No.) *has advantages due to its well-defined synthetic route* . The availability of starting materials and intermediates makes it feasible to produce this compound in sufficient quantities for both research purposes* *and clinical trials* . This aspect is crucial for advancing it towards commercialization if promising preclinical data emerges.
Future directions for research on this compound include exploring its role in combination therapies* . By pairing it with other bioactive molecules*, researchers may be able to achieve synergistic effects that enhance therapeutic outcomes* . Additionally*, investigating its behavior in vivo will provide valuable insights into its biodistribution* *and metabolic fate* . Such information is essential for optimizing dosing regimens* *and minimizing side effects* .
In conclusion, 1367269224 (CAS No.) *represents a promising candidate for further development* *in pharmaceutical research*. Its unique structural features* *combined with preliminary biological activity* *make it an attractive scaffold* *for designing novel therapeutics*. As our understanding of disease mechanisms evolves*, so too will our ability to harness compounds like this one* *to improve human health*. Continued investigation into its properties* *and potential applications* *is warranted given its current promise* .
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