[2-(acetyloxy)ethyl]trimethylazanium chloride

• ChemBase编号: 53477
• 分子式: C7H16ClNO2
• 平均质量: 181.66044
• 单一同位素质量: 181.08695644
• SMILES: [N+](CCOC(=O)C)(C)(C)C.[Cl-]
• Canonical SMILES: CC(=O)OCC[N+](C)(C)C.[Cl-]
• InChI: InChI=1S/C7H16NO2.ClH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1
• InChIKey: JUGOREOARAHOCO-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: [2-(acetyloxy)ethyl]trimethylazanium chloride
• IUPAC传统名: acetylcholine chloride
• 别名: 氯化乙酰胆碱; 氯化乙酰胆碱; 2-(Acetyloxy)-N,N,N-trimethylethanaminium chloride; Acetylcholine chloride; Acetylcholine chloride; 2-Acetoxy-N,N,N-trimethylethanium chloride; 2-Acetyloxy-N,N,N-trimethylethanium chloride; 2-(Acetyloxy)-N,N,N,-trimethylethanaminium Chloride; Arterocoline; Miochol; Ovisot; Acetylcholini chloridum; Acecoline; ACh

登记号

• CAS号: 60-31-1
• EC号: 200-468-8
• MDL号: MFCD00011698
• Beilstein号: 3571875
• 默克索引号: 1487
• PubChem SID: 24890686; 24845420; 24891113; 24891228; 162058240
• PubChem CID: 6060

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -4.2211437
• LogD (pH = 7.4): -4.2211437
• Log P: -4.2211437
• 摩尔折射率: 51.3455 cm^3
• 极化性: 15.861634 Å^3
• 极化表面积: 26.3 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: H2O: soluble; H2O: soluble0.1 g/mL, clear, colorless; H2O: soluble100 mg/mL
• 熔点: 146-150 °C(lit.); 148-150 °C; 148-153 °C; 149-152; 149-152°C

安全信息

• 保存条件: 0°C, Store Under Nitrogen; -20°C
• 保存注意事项: Hygroscopic; IRRITANT
• RTECS编号: FZ9800000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 2
• 危险公开号: 36/37/38; R:36/37/38
• 安全公开号: 26; 26-37-60; S:20-25-26-37/39
• TSCA收录: false; 是
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319-H335; H315-H319-H335-H303
• GHS警示性声明: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• 保存温度: room temp

产品相关信息

• 纯度: ~99%; ≥98.0% (AT); ≥99% (TLC); ≥99.0% (AT); 98+%
• 级别: Ph Eur; purum
• 成盐信息: chloride
• 包装: pkg of 150 mg (per vial)
• 适用性: suitable as substrate for acetylcholinesterase test; suitable for cell culture
• 燃烧残渣: ≤0.05%
• 痕量阳离子: Ca: ≤20 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤5 mg/kg; K: ≤50 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Na: ≤50 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Zn: ≤5 mg/kg
• 线性分子式: (CH3)3N+CH2CH2OCOCH3Cl-

详细说明

MP Biomedicals - 02194602

Cell Culture Reagent
Crystalline
Purity: ~99%

MP Biomedicals - 02100012

Crystalline Purity: ~99%

Selleck Chemicals - S1805

Research Area: Neurological Disease
Biological Activity:
The chemical compound acetylcholine (ACh) is a neurotransmitter in both the peripheral nervous system (PNS) and central nervous system (CNS) in many organisms including humans. Acetylcholine is one of many neurotransmitters in the autonomic nervous system (ANS) and the only neurotransmitter used in the motor division of the somatic nervous system. [1]

Sigma Aldrich - A6625

Application
Do you have application information on this product that you would like to share?
Caution
Very hygroscopic
包装
10 mg in autosmp vl
25, 100, 500 g in glass bottle
Biochem/physiol Actions
Acetylcholine chloride, injected at 20 mg/kg body weight, reduces mortality and plasma proinflammatory cytokines in mice with experimentally-induced sepsis 1. The cholinergicanti-infl ammatory mechanism is probably mediated by interaction of acetylcholine with α7n cholinoreceptor on monocytes, macrophages, and neutrophils, which decreases the levels of proinflammatory cytokines such as TNF-α, IL-1β, and IL-6.

Sigma Aldrich - A9101

Application
For use as a substrate to determine acetylcholinesterase activity.
Reconstitution
Reconstituted solution is stable for 2 weeks when stored at 2-8 °C
Biochem/physiol Actions
Acetylcholine chloride, injected at 20 mg/kg body weight, reduces mortality and plasma proinflammatory cytokines in mice with experimentally-induced sepsis 1. The cholinergicanti-infl ammatory mechanism is probably mediated by interaction of acetylcholine with α7n cholinoreceptor on monocytes, macrophages, and neutrophils, which decreases the levels of proinflammatory cytokines such as TNF-α, IL-1β, and IL-6.

Sigma Aldrich - A2661

Biochem/physiol Actions
Acetylcholine chloride, injected at 20 mg/kg body weight, reduces mortality and plasma proinflammatory cytokines in mice with experimentally-induced sepsis 1. The cholinergicanti-infl ammatory mechanism is probably mediated by interaction of acetylcholine with α7n cholinoreceptor on monocytes, macrophages, and neutrophils, which decreases the levels of proinflammatory cytokines such as TNF-α, IL-1β, and IL-6.

Sigma Aldrich - 01018

Other Notes
Hydrolysis by acetylcholinesterase2; Base-catalysed hydrolysis in the presence of surfactants3; Kinetic parameters of acetylcholinesterase-catalyzed hydrolysis4
Biochem/physiol Actions
Acetylcholine chloride, injected at 20 mg/kg body weight, reduces mortality and plasma proinflammatory cytokines in mice with experimentally-induced sepsis 1. The cholinergicanti-infl ammatory mechanism is probably mediated by interaction of acetylcholine with α7n cholinoreceptor on monocytes, macrophages, and neutrophils, which decreases the levels of proinflammatory cytokines such as TNF-α, IL-1β, and IL-6.

Sigma Aldrich - 01020

Biochem/physiol Actions
Acetylcholine chloride, injected at 20 mg/kg body weight, reduces mortality and plasma proinflammatory cytokines in mice with experimentally-induced sepsis 1. The cholinergicanti-infl ammatory mechanism is probably mediated by interaction of acetylcholine with α7n cholinoreceptor on monocytes, macrophages, and neutrophils, which decreases the levels of proinflammatory cytokines such as TNF-α, IL-1β, and IL-6.

Sigma Aldrich - 03067

Biochem/physiol Actions
Acetylcholine chloride, injected at 20 mg/kg body weight, reduces mortality and plasma proinflammatory cytokines in mice with experimentally-induced sepsis 1. The cholinergicanti-infl ammatory mechanism is probably mediated by interaction of acetylcholine with α7n cholinoreceptor on monocytes, macrophages, and neutrophils, which decreases the levels of proinflammatory cytokines such as TNF-α, IL-1β, and IL-6.

Toronto Research Chemicals - A172060

Acetylcholine Chloride is a cholinergic.

参考文献

• http://en.wikipedia.org/wiki/Acetylcholine_chloride
• Molitor, H., et al.: J. Pharmacol. Exp. Ther., 58, 337 (1936)