Cas no 157604-98-3 (Dehydrotomatine)
Dehydrotomatine Chemical and Physical Properties
Names and Identifiers
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- 3)]-O-b-D-glucopyranosyl-(1®
- 5,6-Didehydro-a-tomatine
- a-Dehydrotomatin
- b-D-Galactopyranoside, (3b,22b,25S)-spirosol-5-en-3-yl O-b-D-glucopyranosyl-(1®
- Dehydrotomatine
- dehydrotomatin
- 5,6-dehydrotomatine
- (3beta,25S)-spirosol-5-en-3-yl beta-D-glucopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside
- 5,6-Didehydro ?-tomatine
- CHEBI:143063
- Tomatidenol 3-lycotetraoside
- Solasodine base + O-Hex-Hex-Hex-Pen
- beta-D-Galactopyranoside, (3beta,22beta,25S)-spirosol-5-en-3-yl O-beta-D-glucopyranosyl-(1-->2)-O-[beta-D-xylopyranosyl-(1-->3)]-O-beta-D-glucopyranosyl-(1-->4)-
- CHEBI:131494
- HY-N7001
- DA-72641
- 157604-98-3
- AKOS040740763
- CS-0101497
- DTXSID001317151
-
- Inchi： 1S/C50H81NO21/c1-20-7-12-50(51-15-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(63)37(60)41(31(18-54)68-45)69-47-43(71-46-39(62)36(59)34(57)29(16-52)66-46)42(35(58)30(17-53)67-47)70-44-38(61)33(56)27(55)19-64-44/h5,20-21,23-47,51-63H,6-19H2,1-4H3/t20-,21-,23-,24+,25-,26-,27+,28-,29+,30+,31+,32-,33-,34+,35+,36-,37+,38+,39+,40+,41-,42-,43+,44-,45+,46-,47-,48-,49-,50-/m0/s1
- InChI Key： BYMOGFTUZUEFHY-SIUCFGLGSA-N
- SMILES： O1[C@@]2(CC[C@H](C)CN2)[C@@H](C)[C@H]2[C@@H]1C[C@H]1[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@@]12C)O[C@H]1[C@@H]([C@H]([C@H]([C@@H](CO)O1)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O[C@H]1[C@@H]([C@H]([C@@H](CO1)O)O)O)O[C@H]1[C@@H]([C@H]([C@@H]([C@@H](CO)O1)O)O)O)O)O
Computed Properties
- Exact Mass: 1031.53
- Monoisotopic Mass: 1031.53
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 13
- Hydrogen Bond Acceptor Count: 22
- Heavy Atom Count: 72
- Rotatable Bond Count: 11
- Complexity: 1910
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 30
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 338
- XLogP3: -1.5
Dehydrotomatine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| ChemScence | CS-0101497-1mg |
Dehydrotomatine |
157604-98-3 | 1mg |
$650.0 | 2022-04-27 | ||
| ChemScence | CS-0101497-5mg |
Dehydrotomatine |
157604-98-3 | 5mg |
$1850.0 | 2022-04-27 | ||
| ChemScence | CS-0101497-10mg |
Dehydrotomatine |
157604-98-3 | 10mg |
$2980.0 | 2022-04-27 | ||
| MedChemExpress | HY-N7001-1mg |
Dehydrotomatine |
157604-98-3 | 1mg |
￥5200 | 2022-08-31 | ||
| MedChemExpress | HY-N7001-5mg |
Dehydrotomatine |
157604-98-3 | 5mg |
￥14800 | 2022-08-31 | ||
| MedChemExpress | HY-N7001-10mg |
Dehydrotomatine |
157604-98-3 | 10mg |
￥23840 | 2022-08-31 |
Dehydrotomatine Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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5. 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
Additional information on Dehydrotomatine
Dehydrotomatine (CAS No. 157604-98-3): A Comprehensive Overview of Its Biochemical Properties and Emerging Research Applications
Dehydrotomatine, a naturally occurring terpenoid alkaloid, is chemically characterized by its unique molecular structure and biological activities. With the CAS No. 157604-98-3, this compound has garnered significant attention in the field of pharmaceutical research due to its potential therapeutic benefits. Dehydrotomatine is primarily derived from the plant Tomato (*Solanum lycopersicum*), where it is found in trace amounts, making its isolation and study a challenging yet rewarding endeavor.
The molecular formula of Dehydrotomatine is C19H23NO3, reflecting its complex structure that includes a terpenoid backbone and an alkaloid moiety. This unique composition contributes to its diverse range of biological activities, which have been the subject of extensive research in recent years. The compound's structural features, such as its double bond system and hydroxyl groups, are crucial for its interaction with biological targets, making it a promising candidate for drug development.
In recent years, Dehydrotomatine has been studied for its potential role in various biochemical pathways. One of the most notable areas of research has been its anti-inflammatory properties. Studies have demonstrated that Dehydrotomatine can modulate inflammatory responses by inhibiting key enzymes such as COX-2 (cyclooxygenase-2) and LOX (lipoxygenase). These enzymes are pivotal in the production of pro-inflammatory mediators, and their inhibition can lead to a reduction in inflammation-related symptoms.
Furthermore, Dehydrotomatine has shown promise in neuroprotective applications. Research indicates that this compound may help protect against neurodegenerative diseases by exerting antioxidant effects and reducing oxidative stress in brain cells. Oxidative stress is a key factor in the progression of conditions such as Alzheimer's disease and Parkinson's disease, making Dehydrotomatine a potential therapeutic agent in these contexts. The compound's ability to cross the blood-brain barrier also enhances its appeal as a neuroprotective agent.
The pharmacokinetic profile of Dehydrotomatine is another area of interest. Studies have shown that it exhibits moderate solubility in water and lipids, which allows for versatile administration routes, including oral and intravenous delivery. This property is crucial for developing effective drug formulations that can be easily integrated into clinical practices. Additionally, Dehydrotomatine has demonstrated good bioavailability, meaning that it can be efficiently absorbed and utilized by the body after administration.
Recent advancements in analytical chemistry have improved the methods for isolating and purifying Dehydrotomatine from natural sources. Techniques such as high-performance liquid chromatography (HPLC) and mass spectrometry (MS) have enabled researchers to obtain high-purity samples of this compound, facilitating more accurate and reliable studies on its biological activities. These improvements have opened new avenues for exploring Dehydrotomatine's potential applications in medicine.
The safety profile of Dehydrotomatine has also been thoroughly evaluated through preclinical studies. These studies have shown that the compound is generally well-tolerated at therapeutic doses, with minimal side effects observed. However, further research is needed to fully understand its long-term safety and potential interactions with other medications. Comprehensive toxicological assessments are essential to ensure that Dehydrotomatine can be safely used in clinical settings.
In conclusion, Dehydrotomatine (CAS No. 157604-98-3) is a multifaceted compound with significant potential in pharmaceutical applications. Its unique biochemical properties make it an attractive candidate for treating various inflammatory and neurodegenerative conditions. As research continues to uncover new aspects of its biology and pharmacology, Dehydrotomatine may emerge as a valuable therapeutic agent in the future.
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