Cas no 2228660-16-8 (4-(azetidin-3-yl)methyl-1,3-dimethyl-1H-pyrazole)
4-(azetidin-3-yl)methyl-1,3-dimethyl-1H-pyrazole Chemical and Physical Properties
Names and Identifiers
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- 4-(azetidin-3-yl)methyl-1,3-dimethyl-1H-pyrazole
- 4-[(azetidin-3-yl)methyl]-1,3-dimethyl-1H-pyrazole
- EN300-1767348
- 2228660-16-8
-
- Inchi: 1S/C9H15N3/c1-7-9(6-12(2)11-7)3-8-4-10-5-8/h6,8,10H,3-5H2,1-2H3
- InChI Key: UNYKGKUUYMXFGM-UHFFFAOYSA-N
- SMILES: N1CC(CC2=CN(C)N=C2C)C1
Computed Properties
- Exact Mass: 165.126597491g/mol
- Monoisotopic Mass: 165.126597491g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 156
- 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: 0.5
- Topological Polar Surface Area: 29.8?2
4-(azetidin-3-yl)methyl-1,3-dimethyl-1H-pyrazole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1767348-1g |
4-[(azetidin-3-yl)methyl]-1,3-dimethyl-1H-pyrazole |
2228660-16-8 | 1g |
$1599.0 | 2023-09-20 | ||
| Enamine | EN300-1767348-5g |
4-[(azetidin-3-yl)methyl]-1,3-dimethyl-1H-pyrazole |
2228660-16-8 | 5g |
$4641.0 | 2023-09-20 | ||
| Enamine | EN300-1767348-10g |
4-[(azetidin-3-yl)methyl]-1,3-dimethyl-1H-pyrazole |
2228660-16-8 | 10g |
$6882.0 | 2023-09-20 | ||
| Enamine | EN300-1767348-0.05g |
4-[(azetidin-3-yl)methyl]-1,3-dimethyl-1H-pyrazole |
2228660-16-8 | 0.05g |
$1344.0 | 2023-09-20 | ||
| Enamine | EN300-1767348-0.1g |
4-[(azetidin-3-yl)methyl]-1,3-dimethyl-1H-pyrazole |
2228660-16-8 | 0.1g |
$1408.0 | 2023-09-20 | ||
| Enamine | EN300-1767348-0.25g |
4-[(azetidin-3-yl)methyl]-1,3-dimethyl-1H-pyrazole |
2228660-16-8 | 0.25g |
$1472.0 | 2023-09-20 | ||
| Enamine | EN300-1767348-0.5g |
4-[(azetidin-3-yl)methyl]-1,3-dimethyl-1H-pyrazole |
2228660-16-8 | 0.5g |
$1536.0 | 2023-09-20 | ||
| Enamine | EN300-1767348-1.0g |
4-[(azetidin-3-yl)methyl]-1,3-dimethyl-1H-pyrazole |
2228660-16-8 | 1g |
$1599.0 | 2023-05-26 | ||
| Enamine | EN300-1767348-2.5g |
4-[(azetidin-3-yl)methyl]-1,3-dimethyl-1H-pyrazole |
2228660-16-8 | 2.5g |
$3136.0 | 2023-09-20 | ||
| Enamine | EN300-1767348-5.0g |
4-[(azetidin-3-yl)methyl]-1,3-dimethyl-1H-pyrazole |
2228660-16-8 | 5g |
$4641.0 | 2023-05-26 |
4-(azetidin-3-yl)methyl-1,3-dimethyl-1H-pyrazole Related Literature
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Camelia Henríquez,Edwin Palacio,Víctor Cerdà Anal. Methods, 2014,6, 8494-8504
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Izumi Yamamoto,Gildas P. Deniau,Navnath Gavande,Mary Chebib,Graham A. R. Johnston,David O'Hagan Chem. Commun., 2011,47, 7956-7958
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Attila N. Lázár,Derek Clarke,Helen Adams,Abdur Razzaque Akanda,Sylvia Szabo,Robert J. Nicholls,Zoe Matthews,Dilruba Begum,Abul Fazal M. Saleh,Md. Anwarul Abedin,Andres Payo,Peter Kim Streatfield,Craig Hutton,M. Shahjahan Mondal,Abu Zofar Md. Moslehuddin Environ. Sci.: Processes Impacts, 2015,17, 1018-1031
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
Additional information on 4-(azetidin-3-yl)methyl-1,3-dimethyl-1H-pyrazole
Chemical Profile of 4-(azetidin-3-yl)methyl-1,3-dimethyl-1H-pyrazole (CAS No. 2228660-16-8)
4-(azetidin-3-yl)methyl-1,3-dimethyl-1H-pyrazole (CAS No. 2228660-16-8) is a heterocyclic compound that has garnered significant attention in the field of pharmaceutical chemistry due to its unique structural and functional properties. This compound belongs to the pyrazole class, which is well-documented for its broad spectrum of biological activities. The presence of an azetidine moiety in its structure introduces additional complexity, making it a promising candidate for further investigation in drug discovery and development.
The molecular structure of 4-(azetidin-3-yl)methyl-1,3-dimethyl-1H-pyrazole consists of a pyrazole ring substituted with a dimethyl group at the 1-position and a methyl group at the 4-position, which is further linked to an azetidine ring. This specific arrangement of functional groups suggests potential interactions with biological targets, such as enzymes and receptors, which are critical for therapeutic efficacy. The compound's stability and solubility characteristics also make it suitable for various pharmaceutical applications.
In recent years, there has been a growing interest in developing novel heterocyclic compounds for their therapeutic potential. Pyrazole derivatives, in particular, have been extensively studied due to their ability to modulate biological pathways involved in inflammation, cancer, and infectious diseases. The incorporation of an azetidine ring into the pyrazole framework has been shown to enhance binding affinity and selectivity towards certain biological targets. This structural feature has prompted researchers to explore the pharmacological properties of 4-(azetidin-3-yl)methyl-1,3-dimethyl-1H-pyrazole as a potential lead compound.
One of the most compelling aspects of this compound is its potential as a scaffold for drug design. The combination of the pyrazole and azetidine moieties provides multiple sites for chemical modification, allowing for the creation of analogs with tailored biological activities. For instance, studies have demonstrated that modifications at the 3-position of the azetidine ring can significantly alter the pharmacokinetic profile of the compound. This flexibility makes 4-(azetidin-3-yl)methyl-1,3-dimethyl-1H-pyrazole a valuable asset in medicinal chemistry libraries.
Recent advancements in computational chemistry have enabled researchers to predict the binding modes and interactions of small molecules with biological targets with high accuracy. Molecular docking studies have been particularly useful in evaluating the potential binding affinity of 4-(azetidin-3-yl)methyl-1,3-dimethyl-1H-pyrazole to various protein targets. These studies have revealed that the compound can interact with enzymes involved in metabolic pathways and signaling cascades relevant to human health and disease.
The synthesis of 4-(azetidin-3-yl)methyl-1,3-dimethyl-1H-pyrazole has been optimized to ensure high yield and purity. The synthetic route involves multi-step organic transformations, including condensation reactions and cyclization processes. The use of advanced catalytic systems has further improved the efficiency of these reactions, making it feasible to produce larger quantities of the compound for preclinical studies.
Preclinical studies have provided preliminary evidence supporting the therapeutic potential of 4-(azetidin-3-yl)methyl-1,3-dimethyl-1H-pyrazole. In vitro assays have shown that the compound exhibits inhibitory activity against certain enzymes and can modulate cellular signaling pathways. These findings are particularly intriguing given the role these pathways play in various diseases. Further investigation is warranted to elucidate the mechanisms by which this compound exerts its effects.
The pharmacokinetic properties of 4-(azetidin-3-yl)methyl-1,3-dimethyl-1H-pyrazole have also been evaluated in animal models. These studies have provided insights into its absorption, distribution, metabolism, and excretion (ADME) profiles. The compound has demonstrated good oral bioavailability and favorable metabolic stability, suggesting its potential for clinical translation.
Future research directions include exploring the structure-based drug design strategies for optimizing the pharmacological properties of 4-(azetidin-3-yl)methyl-1,3-dimethyl-1H-pyrazole. By leveraging computational tools and experimental data, researchers aim to develop novel derivatives with enhanced potency and selectivity. Additionally, exploring new synthetic methodologies could further streamline the production process and reduce costs.
In conclusion,4-(azetidin--methyl--dimeth--pyrazol--CAS No.--2228660--16--8) represents a promising candidate for further investigation in pharmaceutical research. Its unique structural features and demonstrated biological activities make it a valuable asset in drug discovery efforts aimed at addressing unmet medical needs.
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