Cas no 1356087-78-9 (5-Nitro-3-(4-(trifluoromethyl)phenyl)-1H-indazole)
5-Nitro-3-(4-(trifluoromethyl)phenyl)-1H-indazole Chemical and Physical Properties
Names and Identifiers
-
- 5-Nitro-3-(4-(trifluoromethyl)phenyl)-1H-indazole
- 5-Nitro-3-[4-(trifluoromethyl)phenyl]-1H-indazole
- DTXSID40856301
- 1356087-78-9
- DB-253448
-
- Inchi: 1S/C14H8F3N3O2/c15-14(16,17)9-3-1-8(2-4-9)13-11-7-10(20(21)22)5-6-12(11)18-19-13/h1-7H,(H,18,19)
- InChI Key: FXBLUSQBYCBCLT-UHFFFAOYSA-N
- SMILES: FC(C1C=CC(=CC=1)C1C2C=C(C=CC=2NN=1)[N+](=O)[O-])(F)F
Computed Properties
- Exact Mass: 307.05686099g/mol
- Monoisotopic Mass: 307.05686099g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 22
- Rotatable Bond Count: 3
- Complexity: 419
- 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: 3.9
- Topological Polar Surface Area: 74.5?2
5-Nitro-3-(4-(trifluoromethyl)phenyl)-1H-indazole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A269002422-1g |
5-Nitro-3-(4-(trifluoromethyl)phenyl)-1H-indazole |
1356087-78-9 | 95% | 1g |
$475.20 | 2022-04-03 | |
| Chemenu | CM149854-1g |
5-nitro-3-(4-(trifluoromethyl)phenyl)-1H-indazole |
1356087-78-9 | 95% | 1g |
$557 | 2021-08-05 | |
| Chemenu | CM149854-1g |
5-nitro-3-(4-(trifluoromethyl)phenyl)-1H-indazole |
1356087-78-9 | 95% | 1g |
$*** | 2023-03-31 |
5-Nitro-3-(4-(trifluoromethyl)phenyl)-1H-indazole 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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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
Additional information on 5-Nitro-3-(4-(trifluoromethyl)phenyl)-1H-indazole
Recent Advances in the Study of 5-Nitro-3-(4-(trifluoromethyl)phenyl)-1H-indazole (CAS: 1356087-78-9)
The compound 5-Nitro-3-(4-(trifluoromethyl)phenyl)-1H-indazole (CAS: 1356087-78-9) has recently garnered significant attention in the field of chemical biology and medicinal chemistry due to its potential therapeutic applications. This indazole derivative, characterized by a nitro group at the 5-position and a trifluoromethylphenyl moiety at the 3-position, exhibits unique physicochemical properties that make it a promising candidate for drug development. Recent studies have focused on elucidating its biological activity, mechanism of action, and potential applications in treating various diseases.
One of the key areas of research has been the compound's role as a kinase inhibitor. Preliminary in vitro studies have demonstrated that 5-Nitro-3-(4-(trifluoromethyl)phenyl)-1H-indazole exhibits selective inhibition against certain protein kinases involved in cancer cell proliferation. The presence of the nitro group and the trifluoromethylphenyl moiety appears to enhance its binding affinity to the ATP-binding sites of these kinases, thereby disrupting their catalytic activity. These findings suggest that this compound could serve as a lead structure for the development of novel anticancer agents.
In addition to its kinase inhibitory properties, recent investigations have explored the compound's potential as an anti-inflammatory agent. Studies using animal models of inflammation have shown that 5-Nitro-3-(4-(trifluoromethyl)phenyl)-1H-indazole can significantly reduce the production of pro-inflammatory cytokines such as TNF-α and IL-6. The mechanism underlying this effect appears to involve the modulation of NF-κB signaling pathways, although further research is needed to fully elucidate the molecular details. These results highlight the compound's versatility and its potential for repurposing in multiple therapeutic areas.
The synthesis and structural optimization of 5-Nitro-3-(4-(trifluoromethyl)phenyl)-1H-indazole have also been a focus of recent research. Several novel synthetic routes have been developed to improve the yield and purity of the compound, with particular emphasis on green chemistry principles to minimize environmental impact. Computational chemistry approaches, including molecular docking and density functional theory (DFT) calculations, have been employed to predict the compound's binding modes and to guide the design of more potent analogs. These efforts have led to the identification of several derivatives with enhanced pharmacological profiles.
Despite these promising developments, challenges remain in the clinical translation of 5-Nitro-3-(4-(trifluoromethyl)phenyl)-1H-indazole. Issues such as bioavailability, metabolic stability, and potential off-target effects need to be addressed through comprehensive preclinical studies. Recent pharmacokinetic studies have provided valuable insights into the compound's absorption, distribution, metabolism, and excretion (ADME) properties, which will be crucial for its further development. Collaborative efforts between academia and industry are expected to accelerate the progression of this compound into clinical trials.
In conclusion, 5-Nitro-3-(4-(trifluoromethyl)phenyl)-1H-indazole (CAS: 1356087-78-9) represents a promising scaffold for the development of novel therapeutic agents. Its diverse biological activities, coupled with recent advances in synthetic and computational chemistry, position it as a valuable tool for drug discovery. Future research should focus on optimizing its pharmacological properties and exploring its potential in combination therapies. As the field continues to evolve, this compound is likely to play an increasingly important role in addressing unmet medical needs.
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