2-Acetylthioethyltrimethyl-ammoniumiodid
Acetylthiocholine io · Acetylthiocholinjodid · acetylthiocholine iodie · Kamovsky-roots solution · ACETYLTHIOCHOLINE IODIDE · Iodine thioacetylcholine · Iodide thioacetylcholine · s-acetylthio-choliniodide
Identifikatoren & physikalische Daten
| CAS No. | 1866-15-5 |
|---|---|
| Summenformel | C7H16INOS |
| Durchschnittliche Molmasse | 289,18 g/mol |
| Monoisotopische Masse | 288,99973 g/mol |
| SMILES | CC(=O)SCC[N+](C)(C)C.[I-] |
| InChIKey | NTBLZMAMTZXLBP-UHFFFAOYSA-M |
| PubChem CID | 74629 |
| EC No. | 217-474-1 |
| DTXSID | DTXSID50883764 |
| Lokaler Name | 2-Acetylthioethyltrimethyl-ammoniumiodid |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 42,4 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 117 |
| Schmelzpunkt | 205-210 °C(lit.) |
| Dichte | 1.4885 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | H2O: 100 mg/mLH2O: 100mg/mL |
| Aggregatzustand | powder |
| Farbe | white |
| BRN | 3916578 |
| InChI | InChI=1S/C7H16NOS.HI/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H31H/q+1/p-1 |
| InChIKey | NTBLZMAMTZXLBP-UHFFFAOYSA-M |
| SMILES | [N+](C)(C)(C)CCSC(=O)C.[I-] |
| CAS Datenbank | 1866-15-5(CAS DataBase Reference) |
| EPA chemische Informationen | Ethanaminium, 2-(acetylthio)-N,N,N-trimethyl-, iodide (1866-15-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]H311 (97.9%): Toxic in contact with skin [Danger Acute toxicity, dermal]H315 (97.9%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (97.9%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (95.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Regulatorische Informationen | Chemical: Ethanaminium, 2-(acetylthio)-N,N,N-trimethyl-, iodide2-Acetylthioethyltrimethylammonium iodide: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 3 (100%)Acute Tox. 3 (97.9%)Skin Irrit. 2 (97.9%)Eye Irrit. 2 (97.9%)STOT SE 3 (95.8%) |
| F | 3-8-10 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2811 6.1/PG 3 |
| Zollcode | 29309099 |
| RTECS-Nr. | FZ9865000 |
| R-Sätze (R) |
Anwendungen & Verwendung
Beschreibung
Acetylthiocholine iodide, also known as ATCI, serves as both an acetylcholinesterase (AChE) substrate and a nicotinic acetylcholine receptor (AChR) agonist. ATCI itself is a colorless and odorless compound. It exhibits solubility in both water and ethanol. It is a synthetic compound extensively employed in laboratory experiments to measure the activity of AChE, a vital enzyme responsible for the breakdown of the neurotransmitter acetylcholine (ACh) in the central and peripheral nervous systems. Additionally, it enables the evaluation of drug effects on AChE activity and facilitates investigations into the impact of toxins on the nervous system. Acetylthiocholine iodide functions as an inhibitor of AChE. By binding to the enzyme′s active site, it prevents AChE from catalyzing the breakdown of ACh. Consequently, ACh accumulates in the synaptic cleft, leading to increased neuron excitability. This inhibition of AChE by ATCI ultimately results in a higher ACh concentration within the synaptic cleft, yielding a range of physiological effects. These effects encompass heightened muscle contraction, increased heart rate and blood pressure, elevated salivation, intensified bronchial secretions, and augmented gastrointestinal activity[1].
Verwenden
Acetylthiocholine iodide has been used as a substrate in the preparation of acetylcholine esterase (AChE) assay working solution for AChE activity assay. It has also been used as a component in phosphate buffer (PB) for cholinesterase assay.