Cas no 1862724-21-7 (1-Cyclopropyl-2-(2-methylpropyl)butane-1,3-dione)
1-Cyclopropyl-2-(2-methylpropyl)butane-1,3-dione Chemical and Physical Properties
Names and Identifiers
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- 1-cyclopropyl-2-(2-methylpropyl)butane-1,3-dione
- EN300-1126164
- 1862724-21-7
- 1-Cyclopropyl-2-(2-methylpropyl)butane-1,3-dione
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- Inchi: 1S/C11H18O2/c1-7(2)6-10(8(3)12)11(13)9-4-5-9/h7,9-10H,4-6H2,1-3H3
- InChI Key: PFUJGCXWXZWIJL-UHFFFAOYSA-N
- SMILES: O=C(C(C(C)=O)CC(C)C)C1CC1
Computed Properties
- Exact Mass: 182.130679813g/mol
- Monoisotopic Mass: 182.130679813g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 214
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 34.1?2
1-Cyclopropyl-2-(2-methylpropyl)butane-1,3-dione Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1126164-0.05g |
1-cyclopropyl-2-(2-methylpropyl)butane-1,3-dione |
1862724-21-7 | 95% | 0.05g |
$647.0 | 2023-10-26 | |
| Enamine | EN300-1126164-0.1g |
1-cyclopropyl-2-(2-methylpropyl)butane-1,3-dione |
1862724-21-7 | 95% | 0.1g |
$678.0 | 2023-10-26 | |
| Enamine | EN300-1126164-0.25g |
1-cyclopropyl-2-(2-methylpropyl)butane-1,3-dione |
1862724-21-7 | 95% | 0.25g |
$708.0 | 2023-10-26 | |
| Enamine | EN300-1126164-0.5g |
1-cyclopropyl-2-(2-methylpropyl)butane-1,3-dione |
1862724-21-7 | 95% | 0.5g |
$739.0 | 2023-10-26 | |
| Enamine | EN300-1126164-1.0g |
1-cyclopropyl-2-(2-methylpropyl)butane-1,3-dione |
1862724-21-7 | 1g |
$986.0 | 2023-06-09 | ||
| Enamine | EN300-1126164-2.5g |
1-cyclopropyl-2-(2-methylpropyl)butane-1,3-dione |
1862724-21-7 | 95% | 2.5g |
$1509.0 | 2023-10-26 | |
| Enamine | EN300-1126164-5.0g |
1-cyclopropyl-2-(2-methylpropyl)butane-1,3-dione |
1862724-21-7 | 5g |
$2858.0 | 2023-06-09 | ||
| Enamine | EN300-1126164-10.0g |
1-cyclopropyl-2-(2-methylpropyl)butane-1,3-dione |
1862724-21-7 | 10g |
$4236.0 | 2023-06-09 | ||
| Enamine | EN300-1126164-1g |
1-cyclopropyl-2-(2-methylpropyl)butane-1,3-dione |
1862724-21-7 | 95% | 1g |
$770.0 | 2023-10-26 | |
| Enamine | EN300-1126164-5g |
1-cyclopropyl-2-(2-methylpropyl)butane-1,3-dione |
1862724-21-7 | 95% | 5g |
$2235.0 | 2023-10-26 |
1-Cyclopropyl-2-(2-methylpropyl)butane-1,3-dione Related Literature
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
Additional information on 1-Cyclopropyl-2-(2-methylpropyl)butane-1,3-dione
Research Brief on 1-Cyclopropyl-2-(2-methylpropyl)butane-1,3-dione (CAS: 1862724-21-7) in Chemical Biology and Pharmaceutical Applications
1-Cyclopropyl-2-(2-methylpropyl)butane-1,3-dione (CAS: 1862724-21-7) is a novel diketone compound that has recently garnered attention in the field of chemical biology and pharmaceutical research. This compound, characterized by its unique cyclopropyl and isobutyl substituents, exhibits promising potential as a scaffold for drug development, particularly in the modulation of enzymatic activity and protein-protein interactions. Recent studies have explored its synthetic pathways, physicochemical properties, and biological activities, positioning it as a candidate for further investigation in therapeutic applications.
The synthesis of 1-Cyclopropyl-2-(2-methylpropyl)butane-1,3-dione has been optimized to achieve high yield and purity, as reported in recent literature. Key steps involve the condensation of cyclopropyl methyl ketone with isobutyryl derivatives under controlled conditions, followed by purification via column chromatography. Advanced spectroscopic techniques, including NMR and mass spectrometry, have confirmed the structural integrity of the compound, with CAS registry number 1862724-21-7 serving as a unique identifier in chemical databases.
Preliminary biological evaluations have revealed that this diketone exhibits inhibitory activity against certain kinases and proteases, which are critical targets in oncology and inflammatory diseases. Molecular docking studies suggest that the cyclopropyl group enhances binding affinity to hydrophobic pockets in enzyme active sites, while the diketone moiety facilitates chelation of metal ions essential for catalytic activity. These findings underscore the compound's potential as a lead structure for the development of enzyme inhibitors.
In addition to its enzymatic modulation, 1-Cyclopropyl-2-(2-methylpropyl)butane-1,3-dione has shown promise in metabolic studies. Recent in vitro assays demonstrated its ability to interfere with lipid metabolism pathways, potentially offering applications in metabolic disorder therapeutics. Researchers have also investigated its stability under physiological conditions, noting its moderate half-life in plasma, which could be optimized through prodrug strategies or formulation advancements.
Future research directions for this compound include structure-activity relationship (SAR) studies to refine its pharmacological profile, as well as in vivo efficacy and toxicity assessments. Collaborative efforts between academic and industrial laboratories are expected to accelerate its translation into preclinical candidates. The integration of computational chemistry and high-throughput screening platforms may further elucidate its mechanism of action and off-target effects.
In conclusion, 1-Cyclopropyl-2-(2-methylpropyl)butane-1,3-dione (CAS: 1862724-21-7) represents a versatile chemical entity with multifaceted applications in drug discovery. Its synthetic accessibility, combined with emerging biological data, positions it as a compelling subject for ongoing research. This brief highlights the need for interdisciplinary collaboration to fully exploit its therapeutic potential and address current challenges in bioavailability and target selectivity.
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