Cas no 1564698-72-1 (1-(2-Methoxypropyl)-3,5-dimethyl-1h-pyrazol-4-amine)
1-(2-Methoxypropyl)-3,5-dimethyl-1h-pyrazol-4-amine Chemical and Physical Properties
Names and Identifiers
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- 1H-Pyrazol-4-amine, 1-(2-methoxypropyl)-3,5-dimethyl-
- 1-(2-Methoxypropyl)-3,5-dimethyl-1h-pyrazol-4-amine
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- Inchi: 1S/C9H17N3O/c1-6(13-4)5-12-8(3)9(10)7(2)11-12/h6H,5,10H2,1-4H3
- InChI Key: KFVGKRSJSOIDMA-UHFFFAOYSA-N
- SMILES: N1(CC(OC)C)C(C)=C(N)C(C)=N1
Experimental Properties
- Density: 1.11±0.1 g/cm3(Predicted)
- Boiling Point: 297.4±40.0 °C(Predicted)
- pka: 4.54±0.10(Predicted)
1-(2-Methoxypropyl)-3,5-dimethyl-1h-pyrazol-4-amine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1106104-0.05g |
1-(2-methoxypropyl)-3,5-dimethyl-1H-pyrazol-4-amine |
1564698-72-1 | 95% | 0.05g |
$888.0 | 2023-10-27 | |
| Enamine | EN300-1106104-0.1g |
1-(2-methoxypropyl)-3,5-dimethyl-1H-pyrazol-4-amine |
1564698-72-1 | 95% | 0.1g |
$930.0 | 2023-10-27 | |
| Enamine | EN300-1106104-0.25g |
1-(2-methoxypropyl)-3,5-dimethyl-1H-pyrazol-4-amine |
1564698-72-1 | 95% | 0.25g |
$972.0 | 2023-10-27 | |
| Enamine | EN300-1106104-0.5g |
1-(2-methoxypropyl)-3,5-dimethyl-1H-pyrazol-4-amine |
1564698-72-1 | 95% | 0.5g |
$1014.0 | 2023-10-27 | |
| Enamine | EN300-1106104-1.0g |
1-(2-methoxypropyl)-3,5-dimethyl-1H-pyrazol-4-amine |
1564698-72-1 | 1g |
$1299.0 | 2023-05-23 | ||
| Enamine | EN300-1106104-2.5g |
1-(2-methoxypropyl)-3,5-dimethyl-1H-pyrazol-4-amine |
1564698-72-1 | 95% | 2.5g |
$2071.0 | 2023-10-27 | |
| Enamine | EN300-1106104-5.0g |
1-(2-methoxypropyl)-3,5-dimethyl-1H-pyrazol-4-amine |
1564698-72-1 | 5g |
$3770.0 | 2023-05-23 | ||
| Enamine | EN300-1106104-10.0g |
1-(2-methoxypropyl)-3,5-dimethyl-1H-pyrazol-4-amine |
1564698-72-1 | 10g |
$5590.0 | 2023-05-23 | ||
| Enamine | EN300-1106104-1g |
1-(2-methoxypropyl)-3,5-dimethyl-1H-pyrazol-4-amine |
1564698-72-1 | 95% | 1g |
$1057.0 | 2023-10-27 | |
| Enamine | EN300-1106104-5g |
1-(2-methoxypropyl)-3,5-dimethyl-1H-pyrazol-4-amine |
1564698-72-1 | 95% | 5g |
$3065.0 | 2023-10-27 |
1-(2-Methoxypropyl)-3,5-dimethyl-1h-pyrazol-4-amine Related Literature
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
Additional information on 1-(2-Methoxypropyl)-3,5-dimethyl-1h-pyrazol-4-amine
Introduction to 1-(2-Methoxypropyl)-3,5-dimethyl-1H-pyrazol-4-amine (CAS No. 1564698-72-1)
1-(2-Methoxypropyl)-3,5-dimethyl-1H-pyrazol-4-amine is a significant compound in the field of pharmaceutical chemistry, characterized by its unique structural and functional properties. This heterocyclic amine derivative has garnered considerable attention due to its potential applications in medicinal chemistry and drug discovery. The compound's molecular structure, featuring a pyrazole core with substituents such as 2-methoxypropyl, 3,5-dimethyl, and 4-amino groups, contributes to its diverse chemical reactivity and biological activity. With a CAS number of 1564698-72-1, this compound is widely recognized for its role in synthesizing novel therapeutic agents.
The pyrazole scaffold is a privileged structure in medicinal chemistry, known for its versatility in drug design. Its five-membered aromatic ring system allows for the attachment of various functional groups, enabling the development of compounds with tailored biological properties. In particular, the presence of the 2-methoxypropyl side chain introduces a hydrophobic region that can enhance membrane permeability, while the 3,5-dimethyl groups contribute to steric stability and binding affinity. The 4-amino group provides a site for further chemical modification, allowing for the introduction of additional pharmacophores.
Recent advancements in computational chemistry and molecular modeling have highlighted the importance of understanding the three-dimensional structure of such compounds. Studies have demonstrated that the conformational flexibility of 1-(2-methoxypropyl)-3,5-dimethyl-1H-pyrazol-4-amine plays a crucial role in its interactions with biological targets. For instance, computational simulations have revealed that the compound can adopt multiple stable conformations, which may influence its binding affinity and efficacy in biological systems.
One of the most promising applications of this compound lies in its potential as a precursor for kinase inhibitors. Kinases are enzymes involved in numerous cellular processes, including signal transduction and cell proliferation. Dysregulation of kinase activity is associated with various diseases, particularly cancer. By modifying the structure of 1-(2-methoxypropyl)-3,5-dimethyl-1H-pyrazol-4-amine, researchers aim to develop highly selective kinase inhibitors that can modulate these pathways effectively.
In vitro studies have shown that derivatives of this compound exhibit inhibitory activity against several kinases, including Janus kinases (JAKs) and cyclin-dependent kinases (CDKs). The 2-methoxypropyl group has been found to enhance binding affinity by optimizing hydrophobic interactions with the kinase active site. Additionally, the 3,5-dimethyl substituents contribute to steric hindrance, reducing off-target effects. These findings have prompted further investigation into the development of next-generation kinase inhibitors based on this scaffold.
The synthesis of 1-(2-methoxypropyl)-3,5-dimethyl-1H-pyrazol-4-amine involves multi-step organic reactions that require precise control over reaction conditions. Advanced synthetic methodologies, such as transition metal-catalyzed cross-coupling reactions and asymmetric hydrogenation, have been employed to achieve high yields and enantioselectivity. These techniques are essential for producing compounds with high purity and minimal impurities, which is critical for pharmaceutical applications.
Recent research has also explored the pharmacokinetic properties of this compound using preclinical models. Studies indicate that it exhibits favorable absorption, distribution, metabolism, and excretion (ADME) profiles when administered orally. The bioavailability of 1-(2-methoxypropyl)-3,5-dimethyl-1H-pyrazol-4-amine has been optimized by incorporating prodrugs or solubilizing agents into its formulation. These efforts are aimed at improving therapeutic efficacy while minimizing side effects.
The future prospects for this compound are promising, with ongoing research focusing on expanding its therapeutic applications beyond kinase inhibition. Investigational studies suggest potential roles in anti-inflammatory and immunomodulatory therapies. The pyrazole core's ability to interact with various biological targets makes it a versatile platform for drug discovery. By leveraging structure-based drug design principles and high-throughput screening techniques, researchers are identifying novel derivatives with enhanced pharmacological properties.
In conclusion,1-(2-Methoxypropyl)-3,5-dimethyl-1H-pyrazol-4-amine (CAS No. 1564698-72-1) represents a significant advancement in pharmaceutical chemistry due to its unique structural features and potential therapeutic applications. Its role as a precursor for kinase inhibitors and other bioactive compounds underscores its importance in modern drug discovery efforts. As research continues to uncover new insights into its mechanisms of action and pharmacological properties,this compound is poised to play a crucial role in developing next-generation therapeutic agents.
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