Cas no 850607-58-8 (3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethyl-8-azoniabicyclo3.2.1octanebromide)
3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethyl-8-azoniabicyclo3.2.1octanebromide Chemical and Physical Properties
Names and Identifiers
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- 3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octane bromide
- 3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethyl-8-azoniabicyclo3.2.1octanebromide
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- Inchi: 1S/C24H29N2.BrH/c1-26(2)22-13-14-23(26)16-19(15-22)17-24(18-25,20-9-5-3-6-10-20)21-11-7-4-8-12-21;/h3-12,19,22-23H,13-17H2,1-2H3;1H/q+1;/p-1/t19?,22-,23+;
- InChI Key: CWRNUVNMUYSOFQ-FUHGUCTDSA-M
- SMILES: [Br-].[N+]1(C)(C)[C@H]2CC[C@@H]1CC(CC(C#N)(C1C=CC=CC=1)C1C=CC=CC=1)C2
Computed Properties
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 27
- Rotatable Bond Count: 4
3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethyl-8-azoniabicyclo3.2.1octanebromide Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | C273600-2.5mg |
3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octanebromide |
850607-58-8 | 2.5mg |
$ 200.00 | 2022-04-01 | ||
| TRC | C273600-5mg |
3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octanebromide |
850607-58-8 | 5mg |
$ 370.00 | 2022-04-01 | ||
| TRC | C273600-10mg |
3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octanebromide |
850607-58-8 | 10mg |
$ 585.00 | 2022-04-01 |
3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethyl-8-azoniabicyclo3.2.1octanebromide Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
Additional information on 3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethyl-8-azoniabicyclo3.2.1octanebromide
3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethyl-8-azoniabicyclo3.2.1octanebromide: A Comprehensive Overview
3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethyl-8-azoniabicyclo3.2.1octanebromide, with the CAS number 850607-58-8, is a complex organic compound that has garnered significant attention in recent years due to its unique chemical structure and potential applications in various fields, particularly in medicinal chemistry and pharmaceutical research. This compound belongs to the class of quaternary ammonium salts and is characterized by its bicyclic framework and the presence of a cyano group and phenyl substituents.
The chemical structure of 3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethyl-8-azoniabicyclo3.2.1octanebromide is particularly noteworthy for its stability and reactivity. The bicyclic framework provides structural rigidity, which can influence the compound's biological activity and pharmacokinetic properties. The cyano group, known for its electron-withdrawing properties, can modulate the compound's electronic distribution and reactivity. Additionally, the bromide counterion plays a crucial role in the compound's solubility and ionic character.
In the context of medicinal chemistry, 3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethyl-8-azoniabicyclo3.2.1octanebromide has been explored for its potential as a lead compound in drug discovery. Recent studies have highlighted its ability to interact with specific biological targets, such as G protein-coupled receptors (GPCRs) and ion channels. These interactions can have therapeutic implications in treating various diseases, including cardiovascular disorders and neurological conditions.
The synthesis of 3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethyl-8-azoniabicyclo3.2.1octanebromide typically involves multi-step processes that require precise control over reaction conditions to achieve high yields and purity. One common synthetic route involves the condensation of 3-(cyano diphenylmethyl)acetonitrile with 8,8-dimethyl-8-azoniabicyclo[3.2.1]octane bromide salt. This approach allows for the formation of the desired quaternary ammonium salt with high stereoselectivity.
The physicochemical properties of 3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethyl-8-azoniabicyclo3.2.1octanebromide, such as its melting point, solubility, and stability under various conditions, have been extensively studied to optimize its use in pharmaceutical formulations. For instance, its high solubility in polar solvents like water and ethanol makes it suitable for preparing solutions for in vitro and in vivo experiments.
In terms of biological activity, 3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethyl-8-azoniabicyclo3.2.1octanebromide has shown promising results in preclinical studies. It has been reported to exhibit potent anti-inflammatory effects by inhibiting the production of pro-inflammatory cytokines such as TNF-alpha and IL-6. Additionally, it has demonstrated neuroprotective properties by reducing oxidative stress and preventing neuronal cell death in models of neurodegenerative diseases.
The pharmacokinetic profile of 3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethyl-8-azoniabicyclo3.2.1octanebromide is another critical aspect that has been investigated to ensure its safety and efficacy as a therapeutic agent. Studies have shown that it has good oral bioavailability and a favorable distribution profile, allowing it to reach target tissues effectively. Moreover, its metabolic stability and low toxicity make it an attractive candidate for further development.
Clinical trials are currently underway to evaluate the safety and efficacy of 3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethyl-8-azoniabicyclo3.2.1octanebromide in human subjects. Preliminary results from phase I trials have indicated that it is well-tolerated at therapeutic doses with no significant adverse effects observed. These findings are encouraging and support the continued advancement of this compound through later stages of clinical development.
In conclusion, 3-(2-Cyano-2,2-diphenylethyl)-8,8-dimethyl-8-azoniabicyclo3.2.1octanebromide, with CAS number 850607-58-8, represents a promising compound with a wide range of potential applications in medicinal chemistry and pharmaceutical research. Its unique chemical structure and favorable biological properties make it an attractive candidate for further investigation and development as a therapeutic agent.
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