Acetylethylcholine mustard hydrochloride - ≥97% , CAS No.103994-00-9

CAS: 103994-00-9 Cat. No.: A343085 Summenformel: C₈H₁₆ClNO₂•(HCl) Molekulargewicht: 230.13 EG-Nummer: 102-078-2

GRADE & PURITY ≥97%

Synonyms

Acetylethylcholine mustard hydrochloride, >97% (GC), powder | J-001087 | DTXSID10146201 | Acetylethylcholine mustard hydrochloride | 2-((2-chloroethyl)(ethyl)amino)ethyl acetate hydrochloride | 2-[2-chloroethyl(ethyl)amino]ethyl acetate hydrochloride | ac

Storage

Store at -20°C,Desiccated

Shipped In

Ice chest + Ice pads

Übersicht

Product Describtion:

Acetylethylcholine mustard hydrochloride is an inhibitor of choactase (choline acetyl-transferase). Acetylethylcholine mustard hydrochloride is also a precursor for ethylcholine mustard aziridinium ion (AF-64A). This compound is an irreversible ligand for the high affinity choline transport system. Acetylethylcholine mustard hydrochloride is also a specific presynaptic long action cholinotoxin.

Product 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

Specifications

Synonyme

Acetylethylcholine mustard hydrochloride, >97% (GC), powder | J-001087 | DTXSID10146201 | Acetylethylcholine mustard hydrochloride | 2-((2-chloroethyl)(ethyl)amino)ethyl acetate hydrochloride | 2-[2-chloroethyl(ethyl)amino]ethyl acetate hydrochloride | ac

Spezifikationen & Reinheit

≥97%

Biochemische und physiologische Mechanismen

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 precurs

Storage

Store at -20°C,Desiccated

Verschickt in

Ice chest + Ice pads

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

508811865

Kanonisches Lächeln

CCN(CCOC(=O)C)CCCl.Cl

IUPAC Name

2-[2-chloroethyl(ethyl)amino]ethyl acetate;hydrochloride

InChIKey

CHWPASAPXMNLKO-UHFFFAOYSA-N

INCHI

1S/C8H16ClNO2.ClH/c1-3-10(5-4-9)6-7-12-8(2)11;/h3-7H2,1-2H3;1H

Isomere SMILES

CCN(CCOC(=O)C)CCCl.Cl

WGK Deutschland

3

RTECS

CM9620000

UN-Nummer

2811

Verpackungsgruppe

II

Molekulargewicht

230.13

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Klasse Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid esters
• Alternative Parents: Trialkylamines Amino acids and derivatives Monocarboxylic acids and derivatives Organopnictogen compounds Organochlorides Organic oxides Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Tertiary aliphatic amine - Monocarboxylic acid or derivatives - Alkyl chloride - Hydrochloride - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Organopnictogen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Amine - Alkyl halide - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as carboxylic acid esters. These are carboxylic acid derivatives in which the carbon atom from the carbonyl group is attached to an alkyl or an aryl moiety through an oxygen atom (forming an ester group).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water >5 mg/mL, ethanol, and methanol
• Empfindlichkeit: Moisture Sensitive
• Schmelzpunkt (°C): 78-81° C
• Molekulargewicht: 230.130 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 229.064 Da
• Monoisotopic Mass: 229.064 Da
• Topological Polar Surface Area: 29.500 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 130.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 2

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