Cas no 113627-25-1 (cis (2,3)-Dihydro Tetrabenazine)
cis (2,3)-Dihydro Tetrabenazine Chemical and Physical Properties
Names and Identifiers
-
- cis (2,3)-Dihydro Tetrabenazine
- (2R,3S,11bS)-rel-1,3,4,6,7,11b-Hexahydro-9,10-diMethoxy-3-(2-Methylpropyl)-2H-benzo[a]quinolizin-2-ol
- (2α,3α,11bα)-1,3,4,6,7,11b-Hexahydro-9,10-diMethoxy-3 -(2-Methylpropyl)-2H-benzo[a]quinolizin-2-ol
- (2R,3S,11bS)-3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2H -pyrido[2,1-a]isoquinolin-2-ol
- WEQLWGNDNRARGE-DJIMGWMZSA
- (2α,3α,11bα)-1,3,4,6,7,11b-Hexahydro-9,10-diMethoxy-3 -(2-Methylpropyl)-2H-benzo[a]quinolizin-2-ol
- Dihydrotetrabenazine, (2R,3S,11bS)-
- SCHEMBL2755532
- (-)-beta-Htbz
- 924854-62-6
- 113627-25-1
- MFCD11113300
- (2R,3S,11bS)-3-Isobutyl-9,10-dimethoxy-1,3,4,6,7,11bhexahydro-2H-pyrido[2,1-a]isoquinolin-2-ol
- (2R,3S,11bS)-1,3,4,6,7,11b-Hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-2H-benzo(a)quinolizin-2-ol
- AS-53867
- UNII-TDG3R6D9Z7
- J-002998
- (2R,3S,11bS)-3-Isobutyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-pyrido[2,1-a]isoquinolin-2-ol
- (-)-.BETA.-DIHYDROTETRABENAZINE
- TDG3R6D9Z7
- AKOS015852346
- (2R,3S,11bS)-Dihydrotetrabenazine
- P17220
- BDBM50342821
- (-)-.BETA.-HTBZ
- CHEMBL1770802
- 2H-Benzo[a]quinolizin-2-ol, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-, (2R,3S,11bS)-
- (-)-beta-Dihydrotetrabenazine
- (2R,3S,11bS)-9,10-dimethoxy-3-(2-methylpropyl)-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-ol
- 2H-Benzo(a)quinolizin-2-ol, 1,3,4,6,7,11b-hexahydro-9,10-dimethoxy-3-(2-methylpropyl)-, (2R,3S,11bS)-
- Cis(2,3)-dihydro tetrabenazine
- (2R,3S,11BS)-9,10-dimethoxy-3-(2-methylpropyl)-1H,2h,3h,4h,6h,7h,11bH-pyrido[2,1-a]isoquinolin-2-ol
-
- Inchi: 1S/C19H29NO3/c1-12(2)7-14-11-20-6-5-13-8-18(22-3)19(23-4)9-15(13)16(20)10-17(14)21/h8-9,12,14,16-17,21H,5-7,10-11H2,1-4H3/t14-,16-,17+/m1/s1
- InChI Key: WEQLWGNDNRARGE-OIISXLGYSA-N
- SMILES: O[C@H]1C[C@@H]2C3C=C(C(=CC=3CCN2C[C@H]1CC(C)C)OC)OC
Computed Properties
- Exact Mass: 319.21500
- Monoisotopic Mass: 319.21474379g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 23
- Rotatable Bond Count: 4
- Complexity: 389
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 3
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.2
- Topological Polar Surface Area: 41.9?2
Experimental Properties
- Melting Point: 156-158°C (dec.)
- PSA: 41.93000
- LogP: 2.96780
cis (2,3)-Dihydro Tetrabenazine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | D449650-1mg |
cis (2,3)-Dihydro Tetrabenazine |
113627-25-1 | 1mg |
$ 170.00 | 2023-09-07 | ||
| TRC | D449650-2.5mg |
cis (2,3)-Dihydro Tetrabenazine |
113627-25-1 | 2.5mg |
$ 222.00 | 2023-09-07 | ||
| TRC | D449650-5mg |
cis (2,3)-Dihydro Tetrabenazine |
113627-25-1 | 5mg |
$391.00 | 2023-05-18 | ||
| TRC | D449650-10mg |
cis (2,3)-Dihydro Tetrabenazine |
113627-25-1 | 10mg |
$ 752.00 | 2023-09-07 | ||
| TRC | D449650-25mg |
cis (2,3)-Dihydro Tetrabenazine |
113627-25-1 | 25mg |
$1654.00 | 2023-05-18 | ||
| SHANG HAI YUAN YE Biotechnology Co., Ltd. | T56810-2.5mg |
cis (2,3)-Dihydro Tetrabenazine |
113627-25-1 | 2.5mg |
¥2450.00 | 2022-07-27 | ||
| SHANG HAI YUAN YE Biotechnology Co., Ltd. | T56810-5mg |
cis (2,3)-Dihydro Tetrabenazine |
113627-25-1 | 5mg |
¥4480.00 | 2022-07-27 | ||
| TRC | D449650-mg5 |
cis (2,3)-Dihydro Tetrabenazine |
113627-25-1 | mg5 |
$ 320.00 | 2022-07-27 | ||
| AN HUI ZE SHENG Technology Co., Ltd. | D449650-1mg |
(2r,3s,11bs)-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinolin-2-ol |
113627-25-1 | 1mg |
¥1320.00 | 2023-09-15 | ||
| AN HUI ZE SHENG Technology Co., Ltd. | D449650-2.5mg |
(2r,3s,11bs)-3-isobutyl-9,10-dimethoxy-1,3,4,6,7,11b-hexahydro-2h-pyrido[2,1-a]isoquinolin-2-ol |
113627-25-1 | 2.5mg |
¥1680.00 | 2023-09-15 |
cis (2,3)-Dihydro Tetrabenazine Related Literature
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
Additional information on cis (2,3)-Dihydro Tetrabenazine
Cis (2,3)-Dihydro Tetrabenazine (CAS No. 113627-25-1): A Comprehensive Overview
Cis (2,3)-Dihydro Tetrabenazine, identified by the chemical compound code CAS No. 113627-25-1, is a significant molecule in the field of pharmaceutical chemistry and has garnered considerable attention due to its unique structural and pharmacological properties. This compound belongs to the benzodiazepine class, although it exhibits distinct characteristics that set it apart from its more well-known counterparts. The synthesis and application of Cis (2,3)-Dihydro Tetrabenazine have been the subject of extensive research, particularly in the context of developing novel therapeutic agents for neurological disorders.
The molecular structure of Cis (2,3)-Dihydro Tetrabenazine features a tetracyclic framework with a dihydro substitution at the 2 and 3 positions, which contributes to its unique pharmacokinetic profile. This structural feature is crucial in determining its interaction with biological targets, particularly neurotransmitter receptors. The compound’s ability to modulate these receptors has made it a promising candidate for treating conditions such as schizophrenia and Huntington's disease.
Recent advancements in the field of medicinal chemistry have highlighted the potential of Cis (2,3)-Dihydro Tetrabenazine as a lead compound for further drug development. Researchers have been particularly interested in its ability to interact with the dopamine D2 receptor, a key target in the treatment of neurological disorders. Studies have shown that modifications to the tetracyclic core can enhance binding affinity and selectivity, leading to more effective therapeutic outcomes.
In vitro studies have demonstrated that Cis (2,3)-Dihydro Tetrabenazine exhibits potent antagonistic activity at the dopamine D2 receptor. This property is critical for its potential use in treating conditions associated with dopamine dysregulation, such as schizophrenia and Parkinson's disease. Additionally, preliminary in vivo studies have indicated that the compound can cross the blood-brain barrier effectively, suggesting its suitability for systemic administration.
The synthesis of Cis (2,3)-Dihydro Tetrabenazine involves multi-step organic reactions that require precise control over reaction conditions to ensure high yield and purity. The dihydro substitution at the 2 and 3 positions is achieved through catalytic hydrogenation, a process that must be carefully optimized to prevent over-hydrogenation or side reactions. Advances in catalytic systems and reaction engineering have improved the efficiency of this synthesis, making it more scalable for industrial production.
The pharmacological profile of Cis (2,3)-Dihydro Tetrabenazine has been further explored through structural analog studies. By modifying various substituents on the tetracyclic core, researchers have identified derivatives with enhanced pharmacological activity and improved tolerability. These findings underscore the importance of structure-activity relationships in developing novel therapeutic agents.
One of the most exciting areas of research involving Cis (2,3)-Dihydro Tetrabenazine is its potential as a prodrug. Prodrugs are inactive compounds that are metabolically converted into active pharmaceutical ingredients within the body. This approach can enhance drug delivery efficiency and reduce side effects. Studies have shown that certain derivatives of Cis (2,3)-Dihydro Tetrabenazine can be designed as prodrugs that release active compounds at targeted sites within the brain.
The development of novel formulations for delivering Cis (2,3)-Dihydro Tetrabenazine has also been a focus of recent research. Liposomal and nanoparticle-based delivery systems have shown promise in improving bioavailability and targeting specificity. These advanced delivery methods could potentially enhance the therapeutic efficacy of Cis (2,3)-Dihydro Tetrabenazine while minimizing systemic side effects.
Ethical considerations are an integral part of any research involving pharmaceutical compounds like Cis (2,3)-Dihydro Tetrabenazine. Ensuring patient safety through rigorous clinical trials is paramount before any new drug can be approved for widespread use. Regulatory agencies require comprehensive data on efficacy and safety before granting approval, ensuring that patients receive treatments that are both effective and safe.
The future prospects for Cis (2,3)-Dihydro Tetrabenazine are promising, with ongoing research aimed at optimizing its pharmacological properties and exploring new therapeutic applications. Collaborative efforts between academia and industry are essential in driving innovation in this field. By leveraging cutting-edge technologies and interdisciplinary approaches, researchers can accelerate the development of new treatments for neurological disorders.
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