C001
Acetylethylcholine mustard hydrochloride
>97% (GC), powder
Synonym(s):
Acetyl AF-64
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About This Item
Empirical Formula (Hill Notation):
C8H16ClNO2 · HCl
CAS Number:
Molecular Weight:
230.13
NACRES:
NA.77
PubChem Substance ID:
UNSPSC Code:
12352200
MDL number:
Quality Level
assay
>97% (GC)
form
powder
storage condition
desiccated
color
white
mp
78-81 °C
solubility
H2O: >5 mg/mL, ethanol: soluble, methanol: soluble
storage temp.
−20°C
SMILES string
Cl[H].CCN(CCCl)CCOC(C)=O
InChI
1S/C8H16ClNO2.ClH/c1-3-10(5-4-9)6-7-12-8(2)11;/h3-7H2,1-2H3;1H
InChI key
CHWPASAPXMNLKO-UHFFFAOYSA-N
Application
Acetylethylcholine mustard hydrochloride has been used as a precursor in ethylcholine aziridinium (AF64A) preparation. It has also been used in the pharmacokinetic study to investigate its role in neuromuscular junction (NMJ) signal transmission and function.
Biochem/physiol Actions
Acetylethylcholine mustard hydrochloride can reduce the contraction frequency of the myotubes by inhibiting the synthesis of acetylethylcholine (Ach) with the half-maximal inhibitory concentration (IC50) of 1.22 mM.
Acetylethylcholine mustard is a precursor for ethylcholine mustard aziridinium ion (AF-64A); irreversible ligand for the high affinity choline transport system; specific presynaptic long action cholinotoxin; inhibitor of choline acetyl-transferase.
Acetylethylcholine mustard is an irreversible ligand for the high affinity choline transport system; specific presynaptic long action cholinotoxin; inhibitor of choline acetyl-transferase.
Disclaimer
Extremely hygroscopic.
signalword
Danger
Hazard Classifications
Acute Tox. 2 Dermal - Acute Tox. 2 Inhalation - Acute Tox. 2 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 1 - STOT SE 3
target_organs
Nervous system, Respiratory system
Storage Class
6.1A - Combustible acute toxic Cat. 1 and 2 / very toxic hazardous materials
wgk
WGK 3
flash_point_f
204.8 °F - closed cup
flash_point_c
96 °C - closed cup
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Global Trade Item Number
| SKU | GTIN |
|---|---|
| C001-25MG | 04061832081250 |
| C001-5MG | 04061833450147 |