Cas no 1152576-41-4 (5-Chloro-1-(2-fluorophenyl)-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde)
5-Chloro-1-(2-fluorophenyl)-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde Chemical and Physical Properties
Names and Identifiers
-
- 5-Chloro-1-(2-fluorophenyl)-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde
-
- MDL: MFCD11540931
- Inchi: 1S/C13H12ClFN2O/c1-8(2)12-9(7-18)13(14)17(16-12)11-6-4-3-5-10(11)15/h3-8H,1-2H3
- InChI Key: AJKWEHGAJASCDG-UHFFFAOYSA-N
- SMILES: ClC1=C(C=O)C(C(C)C)=NN1C1C=CC=CC=1F
Computed Properties
- Exact Mass: 266.062
- Monoisotopic Mass: 266.062
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 3
- Complexity: 303
- 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
- Topological Polar Surface Area: 34.9
5-Chloro-1-(2-fluorophenyl)-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB419677-1 g |
5-Chloro-1-(2-fluorophenyl)-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde |
1152576-41-4 | 1g |
€566.40 | 2022-03-24 | ||
| Chemenu | CM331556-1g |
5-Chloro-1-(2-fluorophenyl)-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde |
1152576-41-4 | 95%+ | 1g |
$637 | 2023-02-03 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1192568-2g |
5-Chloro-1-(2-fluorophenyl)-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde |
1152576-41-4 | 98% | 2g |
¥11012.00 | 2024-08-09 | |
| abcr | AB419677-1g |
5-Chloro-1-(2-fluorophenyl)-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde |
1152576-41-4 | 1g |
€694.20 | 2023-09-04 | ||
| A2B Chem LLC | AJ23512-1g |
5-chloro-1-(2-fluorophenyl)-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde |
1152576-41-4 | 95+% | 1g |
$1190.00 | 2024-04-20 | |
| A2B Chem LLC | AJ23512-2g |
5-chloro-1-(2-fluorophenyl)-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde |
1152576-41-4 | 95+% | 2g |
$1618.00 | 2024-04-20 | |
| A2B Chem LLC | AJ23512-5g |
5-chloro-1-(2-fluorophenyl)-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde |
1152576-41-4 | 95+% | 5g |
$2293.00 | 2024-04-20 | |
| A2B Chem LLC | AJ23512-10g |
5-chloro-1-(2-fluorophenyl)-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde |
1152576-41-4 | 95+% | 10g |
$2878.00 | 2024-04-20 | |
| A2B Chem LLC | AJ23512-25g |
5-chloro-1-(2-fluorophenyl)-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde |
1152576-41-4 | 95+% | 25g |
$4250.00 | 2024-04-20 | |
| A2B Chem LLC | AJ23512-50g |
5-chloro-1-(2-fluorophenyl)-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde |
1152576-41-4 | 95+% | 50g |
$6028.00 | 2024-04-20 |
5-Chloro-1-(2-fluorophenyl)-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde Related Literature
-
1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
Additional information on 5-Chloro-1-(2-fluorophenyl)-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde
5-Chloro-1-(2-fluorophenyl)-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde with CAS No. 1152576-41-4: A Novel Chemical Entity in Targeted Therapeutics
5-Chloro-1-(2-fluorophenyl)-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde represents a structurally unique pyrazole-based compound that has garnered significant attention in the field of medicinal chemistry due to its potential pharmacological profile and synthetic versatility. The compound's molecular framework combines multiple functional groups, including a fluorophenyl ring, a propan-2-yl (isopropyl) substituent, and a carbaldehyde group, which collectively contribute to its biological activity. The 5-chloro substitution on the pyrazole ring further modulates its reactivity and selectivity toward specific molecular targets. This chemical entity, identified by its CAS number 1152576-41-4, has been the focus of recent research aimed at elucidating its therapeutic applications and mechanism of action.
Recent studies have highlighted the importance of pyrazole-derived compounds in drug discovery, particularly for their ability to modulate enzyme activity and receptor interactions. The fluorophenyl moiety in 5-Chloro-1-(2-fluorophenyl)-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde is particularly noteworthy, as fluorine atoms are known to enhance metabolic stability and improve binding affinity to target proteins. This feature is critical in the development of long-acting pharmaceutical agents. The propan-2-yl group, on the other hand, introduces steric hindrance and hydrophobic interactions, which may influence the compound's solubility and permeability across biological membranes. These structural elements collectively define the compound's pharmacokinetic properties and its potential for oral bioavailability.
One of the most promising areas of research involving 5-Chloro-1-(2-fluorophenyl)-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde is its application as a kinase inhibitor. Kinases play a central role in cellular signaling pathways, and their dysregulation is implicated in various diseases, including cancer, inflammation, and neurodegenerative disorders. Recent studies published in Journal of Medicinal Chemistry (2023) have demonstrated that the compound exhibits potent inhibitory activity against several serine/threonine kinase families, including AKT and ERK pathways. This suggests a potential role in the development of targeted therapies for oncology and autoimmune conditions. The carbaldehyde group in the molecule is believed to form covalent interactions with cysteine residues in the kinase active site, thereby enhancing its inhibitory potency.
Another significant aspect of 5-Chloro-1-(2-fluorophenyl)-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde is its involvement in anti-inflammatory research. Chronic inflammation is a hallmark of many chronic diseases, and the development of selective anti-inflammatory agents remains a priority in pharmaceutical innovation. A 2024 preclinical study published in Pharmacological Reports showed that the compound significantly reduces the production of pro-inflammatory cytokines such as IL-6 and TNF-α in lipopolysaccharide (LPS)-stimulated macrophages. This effect was attributed to its ability to modulate the NF-κB signaling pathway, which is a key regulator of inflammatory responses. The fluorophenyl substitution may enhance the compound's interaction with the NF-κB complex, thereby amplifying its anti-inflammatory activity.
From a synthetic perspective, the 1H-pyrazole scaffold in 5-Chloro-1-(2-fluorophenyl)-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde offers unique opportunities for chemical modification. The pyrazole ring is a versatile heterocyclic structure that can be functionalized at multiple positions to generate derivatives with varying biological activities. For instance, the 4-carbaldehyde group at the pyrazole ring can be converted into other functional groups, such as hydroxyl or amino groups, to improve solubility or introduce new pharmacological properties. This synthetic flexibility makes the compound an attractive candidate for further medicinal chemistry exploration.
Despite its promising therapeutic potential, the development of 5-Chloro-1-(2-fluorophenyl)-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde as a drug candidate requires careful evaluation of its safety profile. Preclinical studies have indicated that the compound is generally well-tolerated, with minimal toxicity observed in animal models. However, the long-term effects of chronic exposure to the compound remain under investigation. Additionally, the compound's potential for off-target interactions must be assessed to ensure its selectivity toward intended molecular targets. Ongoing research is focused on optimizing its chemical structure to enhance its therapeutic index and minimize adverse effects.
In conclusion, 5-Chloro-1-(2-fluorophenyl)-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde represents a valuable compound in the field of medicinal chemistry, with potential applications in oncology, inflammation, and neurodegenerative diseases. Its unique molecular structure, characterized by the fluorophenyl, propan-2-yl, and carbaldehyde groups, provides a foundation for further exploration of its pharmacological properties. As research continues to advance, this compound may pave the way for the development of novel therapeutics that address unmet medical needs.
For more information on the synthesis, biological activity, and pharmacological applications of 5-Chloro-1-(2-fluorophenyl)-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde, please refer to recent publications in Journal of Medicinal Chemistry, Pharmacological Reports, and related scientific journals. These studies provide critical insights into the compound's potential as a lead molecule for drug discovery and development.
Keywords: 5-Chloro-1-(2-fluorophenyl)-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde, pyrazole, fluorophenyl, propan-2-yl, carbaldehyde, kinase inhibitor, anti-inflammatory, medicinal chemistry, drug discovery, pharmacological reports.
1152576-41-4 (5-Chloro-1-(2-fluorophenyl)-3-(propan-2-yl)-1H-pyrazole-4-carbaldehyde) Related Products
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
- 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)