アセチルチオコリンヨージド

Acetylthiocholine iodide

HCID 74629CAS 1866-15-5

基本情報

標準SMILES
CC(=O)SCC[N+](C)(C)C.[I-]
InChIKey
NTBLZMAMTZXLBP-UHFFFAOYSA-M
分子式
C7H16INOS
平均分子量
289.18 g/mol
単同位体質量
288.99973

名称と識別子

優先名称
Acetylthiocholine iodide
IUPAC
2-acetylsulfanylethyl(trimethyl)azanium iodide
現地名
アセチルチオコリンヨージド
英語名
Acetylthiocholine iodide
分子式
C7H16INOS
分子量
289.18

名称と別名

Acetylthiocholine iodide1866-15-5S-Acetylthiocholine iodide2-Acetylthioethyltrimethylammonium iodide6SKH6P4YRNNSC-44139Ethanaminium, 2-(acetylthio)-N,N,N-trimethyl-, iodide (1:1)DTXSID50883764RefChem:109203DTXCID701023254217-474-1Acetylthiocholine diiodide
名称をさらに表示
アセチルチオコリンヨージドアセチルチオコリン·ヨージド2-(アセチルチオ)-N,N,N-トリメチルエタンアミニウム·ヨージドS-アセチルチオコリン·ヨージドS-アセチルチオコリンヨージド(2-メルカプトエチル)トリメチルアンモニウムヨージドアセタートアセチルチオコリン ヨ-ジドよう化2-アセトチオエチルトリメチルアンモニウムよう化アセチルチオコリンACETYLTHIOCHOLINE-IODIDE RESEARCH GRADEアセチルチオコリン=ヨージドAcetylthiocholine ioAcetylthiocholinjodidacetylthiocholine iodieKamovsky-roots solutionIodine thioacetylcholineIodide thioacetylcholines-acetylthio-choliniodideacetylthiocholinediiodideacethylthiocholine iodide
Ethanaminium, 2-(acetylthio)-N,N,N-trimethyl-, iodideMFCD000118192-(Acetylthio)-N,N,N-trimethylethanaminium iodideC7H16INOSNSC 44139(2-Mercaptoethyl)trimethylammonium iodide acetate((2-Mercaptoethyl)trimethylammonium iodide acetate)2-(Acetylthio)-N,N,N-trimethylethan-1-aminium iodide

データベース識別子

CAS
1866-15-5
PubChem CID
74629
DTXSID
DTXSID50883764
UNII
6SKH6P4YRN
EC Number
217-474-1

物性

構造計算による物性

極性表面積
42.4 Ų
水素結合供与体数
0
水素結合受容体数
3
回転可能結合数
4
重原子数
11

物理化学的性質

融点
205 · 205-210 °C(lit.)
比重(密度)
1.4885 · 1.4885 (estimate)
貯蔵温度
2 · 2-8°C
溶解性
2 O: · H2O: 100 mg/mL
外見
粉
色
白い

化学的性質

化学的特性white crystalline powder

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H301 (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 exposure; Respiratory 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.

危険有害性情報

Regulatory Information · 2 件

Chemical: Ethanaminium, 2-(acetylthio)-N,N,N-trimethyl-, iodide

2-Acetylthioethyltrimethylammonium iodide: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 3 (100%);Acute Tox. 3 (97.9%);Skin Irrit. 2 (97.9%);Eye Irrit. 2 (97.9%);STOT SE 3 (95.8%)

法規制情報

Regulatory Information · 2 件

Chemical: Ethanaminium, 2-(acetylthio)-N,N,N-trimethyl-, iodide

2-Acetylthioethyltrimethylammonium iodide: Does not have an individual approval but may be used under an appropriate group standard

安全データ

F
3-8-10
wgk
3
tsca
TSCA listed
rtecs
FZ9865000
ridadr
UN 2811 6.1/PG 3
hs_code
29309099

化学と産業

用途と製造

General Manufacturing InformationEthanaminium, 2-(acetylthio)-N,N,N-trimethyl-, iodide (1:1): ACTIVE
応用分野 · 3 件

用途コリンエステラーゼ測定基質。

説明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].

使用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.

調製方法 · 1 件

純化方法Recrystallise the iodide from propan-1-ol (or iso-PrOH, or EtOH/Et2O) until almost colourless and dry it in a vacuum desiccator over P2O5. Its solubility in H2O is 1% w/v. A 0.075M (21.7mg/mL) solution in 0.1M phosphate buffer pH 8.0 is stable for 10-15 days if kept refrigerated. Store it away from light. It is commercially available as a 1% solution in H2O. [Ellman et al. Biochemical Pharmacology 7, 88 1961, IR: Hansen Acta Chem Scand 13 151 1959, 11 537 1957, Clin Chim Acta 2 316 1957, Ivin Zh Obshch Khim 22 267 1952, Beilstein 4 III 726, 4 IV 1585.]

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関連反応

2 件

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