Cas no 17617-45-7 (Picrotoxinin)
Picrotoxinin Chemical and Physical Properties
Names and Identifiers
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- 3,6-Methano-8H-1,5,7-trioxacyclopenta[ij]cycloprop[a]azulene-4,8(3H)-dione,hexahydro-2a-hydroxy-8b-methyl-9-(1-methylethenyl)-,(1aR,2aR,3S,6R,6aS,8aS,8bR,9R)-
- Picrotoxinin
- 3,6-Methano-8H-1,5,7-trioxacyclopenta[ij]cycloprop[a]azulene-4,8(3H)-dione,hexahydro-2a-hydrox...
- 3,6-Methano-8H-1,5,7-trioxacyclopenta[ij]cycloprop[a]azulene-4,8(3H)-dione,hexahydro-2a-hydroxy-8b-methyl-9-(1-methylethenyl)
- PICROTOXININ(RG)
- Yellowmouth Dutchmanspipe Root
- ahydro-2a-hydroxy-8b-methyl-9-(1-methylethenyl)-,(1ar-(1a-alpha,2a-beta,3-bet
- 6a-beta,8as*,8b-beta,9r*))-6-beta
-
- MDL: MFCD00078765
- Inchi: 1S/C15H16O6/c1-5(2)7-8-11(16)19-9(7)10-13(3)14(8,18)4-6-15(13,21-6)12(17)20-10/h6-10,18H,1,4H2,2-3H3/t6-,7+,8-,9-,10-,13-,14-,15+/m1/s1
- InChI Key: PIMZUZSSNYHVCU-YKWPQBAZSA-N
- SMILES: O1[C@@H]2C[C@]3([C@H]4C(=O)O[C@H]([C@H]4C(=C)C)[C@@H]4[C@@]3(C)[C@]12C(=O)O4)O
Computed Properties
- Exact Mass: 292.09500
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 21
- Rotatable Bond Count: 1
- Complexity: 642
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 8
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- XLogP3: -0.5
- Topological Polar Surface Area: 85.4
Experimental Properties
- Color/Form: Uncertain
- Density: 1.2207 (rough estimate)
- Melting Point: 203-205°C
- Boiling Point: 354.22°C (rough estimate)
- Refractive Index: 1.4359 (estimate)
- PSA: 85.36000
- LogP: -0.06200
- Solubility: Uncertain
- Specific Rotation: D17 +4.4° (c = 4.28 in abs alc), +3.49° (c = 7.57 in acetone)
Picrotoxinin Security Information
- Hazardous Material transportation number:UN 3172
- Hazard Category Code: 25-28
- Safety Instruction: 13-20-45-36/37-28
- RTECS:PC5150000
-
Hazardous Material Identification:
- Safety Term:6.1(a)
- Risk Phrases:R25; R28
- HazardClass:6.1(a)
- PackingGroup:I
- Toxicity:LD50 i.p. in mice: 3 mg/kg (Jarboe)
- Hazard Level:6.1(a)
Picrotoxinin Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| MedChemExpress | HY-B1494-10mg |
Picrotoxinin |
17617-45-7 | ≥98.0% | 10mg |
¥600 | 2024-04-19 | |
| DC Chemicals | DC29060-100mg |
Picrotoxinin |
17617-45-7 | >98% | 100mg |
$150.0 | 2023-09-15 | |
| DC Chemicals | DC29060-250mg |
Picrotoxinin |
17617-45-7 | >98% | 250mg |
$250.0 | 2023-09-15 | |
| DC Chemicals | DC29060-1g |
Picrotoxinin |
17617-45-7 | >98% | 1g |
$500.0 | 2023-09-15 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | P63190-10mg |
Picrotoxinin |
17617-45-7 | 10mg |
¥2618.0 | 2021-09-08 | ||
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | P63191-10mg |
Picrotoxinin |
17617-45-7 | 10mg |
¥1398.0 | 2021-09-08 | ||
| ChemScence | CS-0013192-10mg |
Picrotoxinin |
17617-45-7 | ≥98.0% | 10mg |
$180.0 | 2022-04-27 | |
| FUJIFILM | 165-17351-500mg |
Picrotoxinin |
17617-45-7 | 500mg |
JPY 24300 | 2023-09-15 | ||
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | Y0001528 |
Picrotoxinin |
17617-45-7 | European Pharmacopoeia (EP) Reference Standard | ¥2654.27 | 2022-02-23 | ||
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | PHL80339-20MG |
Picrotoxinin |
17617-45-7 | 20mg |
¥3807.02 | 2023-09-09 |
Picrotoxinin Related Literature
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Qiang-Qiang Shi,Jiang-Jiang Tang,Jin-Ming Gao Nat. Prod. Rep. 2022 39 2096
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2. 174. Picrotoxinin and tutin. Part III. The hydrogenation of picrotoxininS. N. Slater J. Chem. Soc. 1949 806
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3. 922. Picrotoxin and tutin. Part VIIIR. B. Johns,S. N. Slater,R. J. Woods,D. Brasch,Roy Gee J. Chem. Soc. 1956 4715
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4. 428. Picrotoxin and tutin. Part VI. Methylation and methanolysisJ. C. Benstead,Roy Gee,R. B. Johns,M. Martin-Smith,S. N. Slater J. Chem. Soc. 1952 2292
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5. 185. Picrotoxin and tutin. Part IV. The reducing properties and functional groupsJ. C. Benstead,H. V. Brewerton,J. R. Fletcher,M. Martin-Smith,S. N. Slater,A. T. Wilson J. Chem. Soc. 1952 1042
Additional information on Picrotoxinin
Picrotoxinin: A Comprehensive Overview
Picrotoxinin, also known as CAS No. 17617-45-7, is a naturally occurring compound that has garnered significant attention in the fields of pharmacology and toxicology. This compound is primarily found in certain plant species and has been extensively studied for its biological activities and potential applications in medicine and research.
Picrotoxinin is a sesquiterpenoid lactone, a class of compounds known for their diverse biological properties. Its chemical structure, characterized by a unique arrangement of oxygen atoms and a lactone ring, contributes to its potent pharmacological effects. Recent studies have highlighted its role as a neurotoxin, particularly in its ability to induce seizures in experimental models. This property has led researchers to explore its mechanisms of action and potential therapeutic uses.
One of the most notable aspects of Picrotoxinin is its interaction with ion channels, particularly the GABAA receptor complex. Studies have shown that it enhances the activity of GABAA receptors, leading to increased chloride ion influx into neurons. This effect has been linked to its convulsant properties, as excessive neuronal excitation can trigger seizures. However, this same mechanism has also raised interest in its potential use as a tool for studying epilepsy and other neurological disorders.
Recent advancements in analytical techniques have allowed for a deeper understanding of Picrotoxinin's pharmacokinetics and metabolism. Researchers have identified key enzymes involved in its biotransformation, shedding light on how it is processed within the body. This knowledge is crucial for developing strategies to mitigate its toxic effects while maximizing its therapeutic potential.
In terms of applications, Picrotoxinin has been utilized as a research tool in neuropharmacology due to its ability to modulate neuronal activity. It has been employed in preclinical studies to investigate the pathophysiology of epilepsy and other seizure-related conditions. Additionally, its unique chemical structure makes it a valuable compound for drug discovery efforts aimed at developing novel antiepileptic agents.
Despite its promising applications, the toxicity profile of Picrotoxinin remains a critical area of investigation. Studies have demonstrated that it can cause adverse effects at higher doses, including neurotoxicity and hepatotoxicity. Understanding these effects is essential for ensuring safe use in both research and clinical settings.
Recent collaborative efforts between academic institutions and pharmaceutical companies have led to breakthroughs in synthesizing analogs of Picrotoxinin with improved safety profiles. These analogs are being tested for their efficacy in treating refractory epilepsy, a condition that currently lacks effective treatment options.
In conclusion, Picrotoxinin (CAS No. 17617-45-7) is a compound with significant scientific and therapeutic potential. Its unique pharmacological properties, coupled with ongoing research advancements, position it as a key player in the development of novel treatments for neurological disorders. As our understanding of this compound continues to grow, so too does its promise as a valuable tool in medicine and neuroscience.
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