C001

Acetylethylcholine mustard hydrochloride

>97% (GC), powder

• Sinónimos: Acetyl AF-64
• Fórmula empírica (notación de Hill): C₈H₁₆ClNO₂ · HCl
• Número de CAS: 103994-00-9
• Peso molecular: 230.13
• MDL number: MFCD00055153
• UNSPSC Code: 12352200
• PubChem Substance ID: 329774756
• NACRES: NA.77

Propiedades

• Quality Level: 100
• 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

Descripción

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.

Caution

Extremely hygroscopic.

Información de seguridad

• pictograms: GHS06,GHS08
• signalword: Danger
• hcodes: H300 + H310 + H330,H315,H319,H335,H370
• pcodes: P260 - P262 - P280 - P302 + P352 + P310 - P304 + P340 + P310 - P305 + P351 + P338
• 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_germany: WGK 3
• flash_point_f: 204.8 °F - closed cup
• flash_point_c: 96 °C - closed cup