Acetylethylcholine mustard hydrochloride

SIGMA/C001 - >97% (GC), powder

Synonym: Acetyl AF-64

CAS Number: 103994-00-9
Empirical Formula (Hill Notation): C₈H₁₆ClNO₂ · HCl
Molecular Weight: 230.13
MDL Number: MFCD00055153
Linear Formula: C₈H₁₆ClNO₂ · HCl
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-C001-5MG	5 mg	$105.00 1/EA		Add To Favorites
45-C001-25MG	25 mg	$390.00 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	>97% (GC)
color	white
form	powder
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
mp	78-81 °C
Quality Level	100
SMILES string	Cl[H].CCN(CCCl)CCOC(C)=O
solubility	ethanol: soluble
	H₂O: >5 mg/mL
	methanol: soluble
storage condition	desiccated
storage temp.	−20°C

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.
Biochem/physiol Actions:	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.
Biochem/physiol Actions:	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.
Packaging:	5, 25 mg in glass bottle

Symbol	GHS06,GHS08
Signal word	Danger
Hazard statements	H300 + H310 + H330 - H315 - H319 - H335 - H370
Precautionary statements	P260 - P262 - P280 - P302 + P352 + P310 - P304 + P340 + P310 - P305 + P351 + P338
RIDADR	UN 2811 6.1 / PGII
WGK Germany	WGK 3
Flash Point(F)	204.8 °F - closed cup
Flash Point(C)	96 °C - closed cup

Purity	>97% (GC)
mp	78-81 °C
Storage Temp.	−20°C
UNSPSC	12352200

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