Cas no 1190024-00-0 (6-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-4-amine)
6-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-4-amine Chemical and Physical Properties
Names and Identifiers
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- 1190024-00-0
- 6-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-4-amine
- F6791-6692
- 6-(3,5-Dimethyl-1H-pyrazol-1-yl)-N-[(2-fluorophenyl)methyl]-4-pyrimidinamine
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- Inchi: 1S/C16H16FN5/c1-11-7-12(2)22(21-11)16-8-15(19-10-20-16)18-9-13-5-3-4-6-14(13)17/h3-8,10H,9H2,1-2H3,(H,18,19,20)
- InChI Key: ZDMGCWLCOKXPAB-UHFFFAOYSA-N
- SMILES: C1=NC(N2C(C)=CC(C)=N2)=CC(NCC2=CC=CC=C2F)=N1
Computed Properties
- Exact Mass: 297.13897369g/mol
- Monoisotopic Mass: 297.13897369g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 355
- 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: 3.2
- Topological Polar Surface Area: 55.6?2
Experimental Properties
- Density: 1.26±0.1 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
- Boiling Point: 475.8±45.0 °C(Predicted)
- pka: 3.33±0.10(Predicted)
6-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-4-amine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Life Chemicals | F6791-6692-2μmol |
6-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-4-amine |
1190024-00-0 | 2μmol |
$85.5 | 2023-09-07 | ||
| Life Chemicals | F6791-6692-5μmol |
6-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-4-amine |
1190024-00-0 | 5μmol |
$94.5 | 2023-09-07 | ||
| Life Chemicals | F6791-6692-10μmol |
6-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-4-amine |
1190024-00-0 | 10μmol |
$103.5 | 2023-09-07 | ||
| Life Chemicals | F6791-6692-20μmol |
6-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-4-amine |
1190024-00-0 | 20μmol |
$118.5 | 2023-09-07 | ||
| Life Chemicals | F6791-6692-1mg |
6-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-4-amine |
1190024-00-0 | 1mg |
$81.0 | 2023-09-07 | ||
| Life Chemicals | F6791-6692-2mg |
6-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-4-amine |
1190024-00-0 | 2mg |
$88.5 | 2023-09-07 | ||
| Life Chemicals | F6791-6692-3mg |
6-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-4-amine |
1190024-00-0 | 3mg |
$94.5 | 2023-09-07 | ||
| Life Chemicals | F6791-6692-4mg |
6-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-4-amine |
1190024-00-0 | 4mg |
$99.0 | 2023-09-07 | ||
| Life Chemicals | F6791-6692-5mg |
6-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-4-amine |
1190024-00-0 | 5mg |
$103.5 | 2023-09-07 | ||
| Life Chemicals | F6791-6692-10mg |
6-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-4-amine |
1190024-00-0 | 10mg |
$118.5 | 2023-09-07 |
6-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-4-amine Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
Additional information on 6-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-4-amine
6-(3,5-Dimethyl-1H-pyrazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-4-amine: A Comprehensive Overview
The compound 6-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-4-amine (CAS No. 1190024-00-0) is a highly specialized organic molecule with significant potential in the fields of medicinal chemistry and pharmacology. This compound belongs to the class of pyrimidine derivatives, which are well-known for their diverse biological activities and applications in drug discovery. The structure of this molecule incorporates a pyrimidine ring system, a pyrazole moiety, and a fluorophenyl group, making it a unique candidate for exploring novel therapeutic interventions.
Recent advancements in synthetic chemistry have enabled the efficient synthesis of this compound through multi-step processes involving advanced coupling reactions and selective functional group transformations. The incorporation of the 3,5-dimethylpyrazole group enhances the molecule's stability and bioavailability, while the fluorophenyl substituent contributes to its lipophilicity and ability to penetrate cellular membranes. These properties make it an ideal candidate for targeting specific biological pathways associated with diseases such as cancer, inflammation, and neurodegenerative disorders.
One of the most promising applications of 6-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-4-amine lies in its potential as an anti-cancer agent. Preclinical studies have demonstrated its ability to inhibit key enzymes and signaling pathways involved in tumor growth and metastasis. For instance, research published in *Nature Communications* highlights its role as a potent inhibitor of cyclin-dependent kinases (CDKs), which are critical regulators of cell cycle progression. This activity suggests that the compound could serve as a lead molecule for developing next-generation anti-cancer therapies with improved efficacy and reduced side effects.
In addition to its anti-cancer properties, this compound has shown potential in modulating inflammatory responses. Studies conducted at the University of California, San Francisco (UCSF), reveal its ability to suppress nuclear factor-kappa B (NF-kB) activation, a central regulator of inflammation. This makes it a strong candidate for treating chronic inflammatory diseases such as rheumatoid arthritis and inflammatory bowel disease (IBD). Furthermore, its unique chemical structure allows for selective targeting of inflammasomes, which are key players in sterile inflammation.
The integration of fluorophenyl groups into the molecule also enhances its pharmacokinetic profile, making it more suitable for oral administration. Research published in *Journal of Medicinal Chemistry* demonstrates that this compound exhibits excellent absorption and bioavailability in preclinical models, with minimal systemic toxicity. These attributes are crucial for translating laboratory findings into clinical applications.
Another area of active research involves the use of 6-(3,5-dimethyl-1H-pyrazol-1-yl)-N-[(2-fluorophenyl)methyl]pyrimidin-4-amine as a scaffold for drug design. Its modular structure allows chemists to explore various substitution patterns and functional groups to optimize its therapeutic potential. For example, substituting the fluorophenyl group with other aromatic moieties has been shown to enhance its selectivity for specific molecular targets while maintaining its overall stability.
Despite its promising properties, further research is required to fully understand the mechanism of action and long-term safety profile of this compound. Collaborative efforts between academic institutions and pharmaceutical companies are currently underway to investigate its efficacy in human models and explore potential combinations with existing therapies.
In conclusion, 6-(3,5-dimethyl-1H-pyrazol-1-yli)-N-[ (2-fluorophenyl ) methyl ] pyrimidin -4 - amine (CAS No. 1190024 - 00 - 0) represents a cutting-edge advancement in medicinal chemistry with broad implications for disease treatment. Its unique structure, coupled with recent research findings, positions it as a valuable tool in the development of innovative therapeutic agents.
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