Bromoacetylcholine bromide - ≥97% , CAS No.22004-27-9

CAS: 22004-27-9 Cat. No.: B353648 Summenformel: C₇H₁₅Br₂NO₂ Molekulargewicht: 305.01 PubChem CID: 11957478

GRADE & PURITY ≥97%

Synonyms

DTXSID701017386 | LP00196 | B-121 | HMS3260H13 | EU-0100196 | J-014415 | SR-01000075729-1 | {2-[(2-bromoacetyl)oxy]ethyl}trimethylazanium bromide | D86709 | WS-00565 | MLS002153520 | Tox21_500196 | 2-(2-Bromoacetyloxy)-N.,N,N-trimethylethanaminium bromide

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Übersicht

Bromoacetylcholine bromide is used as an affinity alkylating agent for nicotinic receptors.

Specifications

Synonyme

DTXSID701017386 | LP00196 | B-121 | HMS3260H13 | EU-0100196 | J-014415 | SR-01000075729-1 | {2-[(2-bromoacetyl)oxy]ethyl}trimethylazanium bromide | D86709 | WS-00565 | MLS002153520 | Tox21_500196 | 2-(2-Bromoacetyloxy)-N.,N,N-trimethylethanaminium bromide

Spezifikationen & Reinheit

≥97%

Storage

Store at -20°C

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: 528772987
• Kanonisches Lächeln: C[N+](C)(C)CCOC(=O)CBr.[Br-]
• IUPAC Name: 2-(2-bromoacetyl)oxyethyl-trimethylazanium;bromide
• InChIKey: AFIIOPIEVQSYHH-UHFFFAOYSA-M
• INCHI: 1S/C7H15BrNO2.BrH/c1-9(2,3)4-5-11-7(10)6-8;/h4-6H2,1-3H3;1H/q+1;/p-1
• Isomere SMILES: C[N+](C)(C)CCOC(=O)CBr.[Br-]
• WGK Deutschland: 3
• RTECS: FZ9902000
• PubChem CID: 11957478
• Molekulargewicht: 305.01

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Klasse Organonitrogen compounds
      • Subclass Quaternary ammonium salts
        • Ebene5 Cholines
          • Ebene6 Acyl cholines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Klasse: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Cholines
• Direct Parent: Acyl cholines
• Alternative Parents: Tetraalkylammonium salts Alpha-halocarboxylic acid derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Organobromides Organic oxides Organic bromide salts Hydrocarbon derivatives Carbonyl compounds Amines Alkyl bromides Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acyl choline - Alpha-halocarboxylic acid derivative - Tetraalkylammonium salt - Alpha-halocarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organooxygen compound - Organobromide - Organohalogen compound - Organic bromide salt - Organic oxygen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Alkyl halide - Alkyl bromide - Organic salt - Organic cation - Aliphatic acyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as acyl cholines. These are acylated derivatives of choline. Choline or 2-Hydroxy-N,N,N-trimethylethanaminium is a quaternary ammonium salt with the chemical formula (CH3)3N+(CH2)2OH.
• 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

Zugehörige Ziele (menschlich)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

SLC5A7 Tchem High-affinity choline transporter (1462 Activities)

Discover Target: SLC5A7

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

EHMT2 Tchem Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 (93046 Activities)

Discover Target: EHMT2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

L3MBTL1 Tchem Lethal(3)malignant brain tumor-like protein 1 (14536 Activities)

Discover Target: L3MBTL1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

MPHOSPH8 Tbio M-phase phosphoprotein 8 (656 Activities)

Discover Target: MPHOSPH8

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

Discover Target: USP1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Zugehörige Ziele (nicht menschlich)

Danio rerio (3092 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Wirkungsmechanismen

Chemische und physikalische Eigenschaften

• Löslichkeit: H2O: soluble
• Schmelzpunkt (°C): 135-137° C
• Molekulargewicht: 305.010 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 304.945 Da
• Monoisotopic Mass: 302.947 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 131.000
• 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

XLogP3