Cas no 1197193-24-0 (3-Amino-4,6-difluoro-1H-indazole)
3-Amino-4,6-difluoro-1H-indazole Chemical and Physical Properties
Names and Identifiers
-
- 4,6-Difluoro-1H-indazol-3-amine
- 3-Amino-4,6-difluoro-1H-indazole
- 4,6-Difluoro-1H-indazol-3-ylamine
- LURQUCAPVCIQML-UHFFFAOYSA-N
- 1H-Indazol-3-amine, 4,6-difluoro-
- FCH1147059
- TRA0127760
- SY007055
- AB1000866
- AX8173914
- AB0010122
-
- MDL: MFCD13191634
- Inchi: 1S/C7H5F2N3/c8-3-1-4(9)6-5(2-3)11-12-7(6)10/h1-2H,(H3,10,11,12)
- InChI Key: LURQUCAPVCIQML-UHFFFAOYSA-N
- SMILES: FC1=CC(=CC2=C1C(N)=NN2)F
Computed Properties
- Exact Mass: 169.04500
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 178
- Topological Polar Surface Area: 54.7
Experimental Properties
- PSA: 54.70000
- LogP: 2.00450
3-Amino-4,6-difluoro-1H-indazole Customs Data
- HS CODE:2933990090
- Customs Data:
China Customs Code:
2933990090Overview:
2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
3-Amino-4,6-difluoro-1H-indazole Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 45R0499-1g |
4,6-Difluoro-1H-indazol-3-ylamine |
1197193-24-0 | 96% | 1g |
1679.12CNY | 2021-05-08 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 45R0499-5g |
4,6-Difluoro-1H-indazol-3-ylamine |
1197193-24-0 | 96% | 5g |
5919.34CNY | 2021-05-08 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 45R0499-500mg |
4,6-Difluoro-1H-indazol-3-ylamine |
1197193-24-0 | 96% | 500mg |
1263.58CNY | 2021-05-08 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 45R0499-250mg |
4,6-Difluoro-1H-indazol-3-ylamine |
1197193-24-0 | 96% | 250mg |
1060.05CNY | 2021-05-08 | |
| JIE DA WEI ( SHANG HAI ) YI YAO KE JI FA ZHAN Co., Ltd. | 45R0499-100mg |
4,6-Difluoro-1H-indazol-3-ylamine |
1197193-24-0 | 96% | 100mg |
831.08CNY | 2021-05-08 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | D853228-1g |
3-Amino-4,6-difluoro-1H-indazole |
1197193-24-0 | ≥95% | 1g |
¥1,199.00 | 2022-01-10 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | A25360-1g |
4,6-Difluoro-1H-indazol-3-amine |
1197193-24-0 | 95% | 1g |
¥1939.0 | 2023-09-09 | |
| Alichem | A269002256-5g |
4,6-Difluoro-1H-indazol-3-amine |
1197193-24-0 | 95% | 5g |
$670.95 | 2023-09-04 | |
| TRC | A577000-50mg |
3-Amino-4,6-difluoro-1H-indazole |
1197193-24-0 | 50mg |
$ 50.00 | 2022-06-08 | ||
| TRC | A577000-100mg |
3-Amino-4,6-difluoro-1H-indazole |
1197193-24-0 | 100mg |
$ 65.00 | 2022-06-08 |
3-Amino-4,6-difluoro-1H-indazole Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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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
Additional information on 3-Amino-4,6-difluoro-1H-indazole
Professional Introduction to 3-Amino-4,6-difluoro-1H-indazole (CAS No. 1197193-24-0)
3-Amino-4,6-difluoro-1H-indazole, identified by the Chemical Abstracts Service Number (CAS No.) 1197193-24-0, is a fluorinated heterocyclic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal biology due to its unique structural and electronic properties. This compound belongs to the indazole class, which is well-documented for its broad spectrum of biological activities, including antimicrobial, anti-inflammatory, and anticancer effects. The introduction of fluorine atoms at the 4 and 6 positions of the indazole ring enhances its pharmacological potential by modulating electronic effects, lipophilicity, and metabolic stability.
The structural motif of 3-amino-4,6-difluoro-1H-indazole consists of a benzene-like aromatic system fused with a nitrogen-containing five-membered ring. The presence of two fluorine substituents at the 4 and 6 positions introduces significant electron-withdrawing effects, which can influence the reactivity and binding affinity of the molecule towards biological targets. Additionally, the amino group at the 3-position provides a site for further functionalization, enabling the synthesis of more complex derivatives with tailored biological properties.
In recent years, there has been growing interest in fluorinated indazoles as pharmacophores due to their ability to improve drug-like properties such as bioavailability and resistance to enzymatic degradation. The fluorine atoms can enhance the metabolic stability of drug candidates by preventing unwanted hydrolysis or oxidation. Furthermore, fluorine substitution often leads to increased binding affinity to biological targets, making fluorinated compounds attractive for drug development.
One of the most compelling aspects of 3-amino-4,6-difluoro-1H-indazole is its potential as a building block for novel therapeutic agents. Researchers have explored its derivatives in various disease models, demonstrating promising results in preclinical studies. For instance, studies have shown that certain fluorinated indazoles exhibit potent inhibitory activity against kinases and other enzymes involved in cancer progression. The electron-withdrawing nature of the fluorine atoms at positions 4 and 6 can optimize the interactions between the compound and its target proteins, leading to enhanced efficacy.
The synthesis of 3-amino-4,6-difluoro-1H-indazole typically involves multi-step organic reactions that require careful control of reaction conditions to ensure high yield and purity. Common synthetic routes include nucleophilic substitution reactions on halogenated precursors followed by functional group transformations such as amination. Advanced techniques such as palladium-catalyzed cross-coupling reactions have also been employed to introduce fluorine atoms with high precision.
Recent advancements in computational chemistry have further accelerated the discovery process for fluorinated indazoles like 3-amino-4,6-difluoro-1H-indazole. Molecular modeling studies have helped researchers predict binding modes and optimize lead compounds before experimental synthesis. These computational approaches are particularly valuable for understanding how structural modifications affect biological activity.
The pharmacokinetic profile of 3-amino-4,6-difluoro-1H-indazole is another critical aspect that has been extensively studied. Fluorine substitution can influence solubility, permeability, and metabolic clearance rates, all of which are essential for drug development. Preclinical data suggest that this compound exhibits favorable pharmacokinetic properties in animal models, making it a promising candidate for further investigation.
In conclusion,3-amino-4,6-difluoro-1H-indazole (CAS No. 1197193-24-0) represents a significant advancement in pharmaceutical chemistry due to its unique structural features and potential therapeutic applications. The combination of fluorine substitution and an amino group provides a versatile scaffold for designing novel drugs with improved efficacy and stability. As research continues to uncover new biological activities and synthetic strategies for this class of compounds,3-amino-4,6-difluoro-1H-indazole is poised to play a crucial role in future drug development efforts.
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