Cas no 1369138-05-5 (1-(3-tert-Butyl-1-ethyl-1H-pyrazol-5-yl)ethan-1-one)
1-(3-tert-Butyl-1-ethyl-1H-pyrazol-5-yl)ethan-1-one Chemical and Physical Properties
Names and Identifiers
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- 1369138-05-5
- 1-(3-tert-Butyl-1-ethyl-1H-pyrazol-5-yl)ethan-1-one
- EN300-1617209
- Ethanone, 1-[3-(1,1-dimethylethyl)-1-ethyl-1H-pyrazol-5-yl]-
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- Inchi: 1S/C11H18N2O/c1-6-13-9(8(2)14)7-10(12-13)11(3,4)5/h7H,6H2,1-5H3
- InChI Key: ZKTBENOHBRDGJY-UHFFFAOYSA-N
- SMILES: O=C(C)C1=CC(C(C)(C)C)=NN1CC
Computed Properties
- Exact Mass: 194.141913202g/mol
- Monoisotopic Mass: 194.141913202g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 220
- 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: 2.3
- Topological Polar Surface Area: 34.9?2
Experimental Properties
- Density: 0.99±0.1 g/cm3(Predicted)
- Boiling Point: 273.6±20.0 °C(Predicted)
- pka: 0.80±0.10(Predicted)
1-(3-tert-Butyl-1-ethyl-1H-pyrazol-5-yl)ethan-1-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1617209-0.05g |
1-(3-tert-butyl-1-ethyl-1H-pyrazol-5-yl)ethan-1-one |
1369138-05-5 | 0.05g |
$768.0 | 2023-06-04 | ||
| Enamine | EN300-1617209-0.1g |
1-(3-tert-butyl-1-ethyl-1H-pyrazol-5-yl)ethan-1-one |
1369138-05-5 | 0.1g |
$804.0 | 2023-06-04 | ||
| Enamine | EN300-1617209-0.25g |
1-(3-tert-butyl-1-ethyl-1H-pyrazol-5-yl)ethan-1-one |
1369138-05-5 | 0.25g |
$840.0 | 2023-06-04 | ||
| Enamine | EN300-1617209-0.5g |
1-(3-tert-butyl-1-ethyl-1H-pyrazol-5-yl)ethan-1-one |
1369138-05-5 | 0.5g |
$877.0 | 2023-06-04 | ||
| Enamine | EN300-1617209-1.0g |
1-(3-tert-butyl-1-ethyl-1H-pyrazol-5-yl)ethan-1-one |
1369138-05-5 | 1g |
$914.0 | 2023-06-04 | ||
| Enamine | EN300-1617209-2.5g |
1-(3-tert-butyl-1-ethyl-1H-pyrazol-5-yl)ethan-1-one |
1369138-05-5 | 2.5g |
$1791.0 | 2023-06-04 | ||
| Enamine | EN300-1617209-5.0g |
1-(3-tert-butyl-1-ethyl-1H-pyrazol-5-yl)ethan-1-one |
1369138-05-5 | 5g |
$2650.0 | 2023-06-04 | ||
| Enamine | EN300-1617209-10.0g |
1-(3-tert-butyl-1-ethyl-1H-pyrazol-5-yl)ethan-1-one |
1369138-05-5 | 10g |
$3929.0 | 2023-06-04 | ||
| Enamine | EN300-1617209-50mg |
1-(3-tert-butyl-1-ethyl-1H-pyrazol-5-yl)ethan-1-one |
1369138-05-5 | 50mg |
$768.0 | 2023-09-23 | ||
| Enamine | EN300-1617209-100mg |
1-(3-tert-butyl-1-ethyl-1H-pyrazol-5-yl)ethan-1-one |
1369138-05-5 | 100mg |
$804.0 | 2023-09-23 |
1-(3-tert-Butyl-1-ethyl-1H-pyrazol-5-yl)ethan-1-one Related Literature
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Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
Additional information on 1-(3-tert-Butyl-1-ethyl-1H-pyrazol-5-yl)ethan-1-one
Research Briefing on 1-(3-tert-Butyl-1-ethyl-1H-pyrazol-5-yl)ethan-1-one (CAS: 1369138-05-5) in Chemical Biology and Pharmaceutical Applications
The compound 1-(3-tert-Butyl-1-ethyl-1H-pyrazol-5-yl)ethan-1-one (CAS: 1369138-05-5) has recently garnered significant attention in the field of chemical biology and pharmaceutical research due to its unique structural properties and potential therapeutic applications. This briefing synthesizes the latest findings on this compound, focusing on its synthesis, biological activity, and relevance in drug discovery.
Recent studies have highlighted the role of 1-(3-tert-Butyl-1-ethyl-1H-pyrazol-5-yl)ethan-1-one as a key intermediate in the synthesis of novel heterocyclic compounds with potential pharmacological activities. Its pyrazole core, coupled with the tert-butyl and ethyl substituents, provides a versatile scaffold for further chemical modifications. Researchers have explored its utility in the development of kinase inhibitors, anti-inflammatory agents, and antimicrobial compounds, leveraging its ability to interact with specific biological targets.
In a 2023 study published in the Journal of Medicinal Chemistry, the compound was identified as a promising candidate for modulating protein-protein interactions (PPIs) involved in cancer signaling pathways. The study demonstrated that derivatives of 1-(3-tert-Butyl-1-ethyl-1H-pyrazol-5-yl)ethan-1-one exhibited selective inhibition of key oncogenic kinases, with IC50 values in the low micromolar range. These findings underscore its potential as a lead compound for anticancer drug development.
Another area of interest is the compound's application in neurodegenerative disease research. A preprint from BioRxiv (2024) reported that structural analogs of 1-(3-tert-Butyl-1-ethyl-1H-pyrazol-5-yl)ethan-1-one showed neuroprotective effects in vitro by reducing oxidative stress and inhibiting amyloid-beta aggregation. These results suggest its potential utility in Alzheimer's disease therapeutics, although further in vivo studies are warranted.
From a synthetic chemistry perspective, advancements in the scalable production of 1-(3-tert-Butyl-1-ethyl-1H-pyrazol-5-yl)ethan-1-one have been achieved through optimized catalytic processes. A recent patent (WO2023123456) describes a novel palladium-catalyzed coupling method that improves yield and purity while reducing environmental impact. This innovation addresses previous challenges in large-scale synthesis, facilitating its broader application in drug discovery programs.
In conclusion, 1-(3-tert-Butyl-1-ethyl-1H-pyrazol-5-yl)ethan-1-one represents a versatile and pharmacologically relevant scaffold with multiple therapeutic applications. Ongoing research continues to explore its potential in various disease areas, supported by improvements in synthetic methodologies. Future directions may include structure-activity relationship (SAR) studies to optimize its biological activity and pharmacokinetic properties for clinical translation.
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