W-84 dibromide - ≥98% , CAS No.21093-51-6

CAS: 21093-51-6 Cat. No.: W288089 Formule: C₃₂H₄₄Br₂N₄O₄ Poids moléculaire: 708.53 Numéro CE: 633-814-5 PubChem CID: 167961

GRADE & PURITY ≥98%

Synonyms

J-013837 | W-84 dibromide | A815135 | N1,N6-bis(3-(1,3-dioxoisoindolin-2-yl)propyl)-N1,N1,N6,N6-tetramethylhexane-1,6-diaminium bromide | Hexamethylene-bis-[dimethyl-(3-phthalimidopropyl)ammonium]dibromide | FT-0638093 | N~1~,N~6~-Bis[3-(1,3-dioxo-1,3-dih

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonymes

J-013837 | W-84 dibromide | A815135 | N1,N6-bis(3-(1,3-dioxoisoindolin-2-yl)propyl)-N1,N1,N6,N6-tetramethylhexane-1,6-diaminium bromide | Hexamethylene-bis-[dimethyl-(3-phthalimidopropyl)ammonium]dibromide | FT-0638093 | N~1~,N~6~-Bis[3-(1,3-dioxo-1,3-dih

Spécifications et pureté

≥98%

Mécanismes biochimiques et physiologiques

Stabilizes cholinergic antagonist-receptor complexes by an allosteric effect. Increases the protective effect of atropine against organophosphate poisoning.Potent allosteric modulator of M2 muscarinic acetylcholine receptors.

Conditions de stockage de stockage

Store at -20°C

Expédié en

Ice chest + Ice pads

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504757613

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504757613

Sourires canoniques

C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)C2=CC=CC=C2C1=O)CCCN3C(=O)C4=CC=CC=C4C3=O.[Br-].[Br-]

IUPAC Name

3-(1,3-dioxoisoindol-2-yl)propyl-[6-[3-(1,3-dioxoisoindol-2-yl)propyl-dimethylazaniumyl]hexyl]-dimethylazanium;dibromide

InChIKey

DZRJZDQAGMZGGA-UHFFFAOYSA-L

INCHI

1S/C32H44N4O4.2BrH/c1-35(2,23-13-19-33-29(37)25-15-7-8-16-26(25)30(33)38)21-11-5-6-12-22-36(3,4)24-14-20-34-31(39)27-17-9-10-18-28(27)32(34)40;;/h7-10,15-18H,5-6,11-14,19-24H2,1-4H3;2*1H/q+2;;/p-2

Isomères SMILES

C[N+](C)(CCCCCC[N+](C)(C)CCCN1C(=O)C2=CC=CC=C2C1=O)CCCN3C(=O)C4=CC=CC=C4C3=O.[Br-].[Br-]

WGK Allemagne

3

PubChem CID

167961

Poids moléculaire

708.53

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Classe Organonitrogen compounds
      • Subclass Quaternary ammonium salts

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Classe: Organonitrogen compounds
• Subclass: Quaternary ammonium salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Hexamethonium compounds
• Alternative Parents: Phthalimides Isoindoles N-substituted carboxylic acid imides Benzenoids Tetraalkylammonium salts Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Organic bromide salts Hydrocarbon derivatives Amines
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hexamethonium - Phthalimide - Isoindolone - Isoindoline - Isoindole - Isoindole or derivatives - Carboxylic acid imide, n-substituted - Benzenoid - Tetraalkylammonium salt - Carboxylic acid imide - Organoheterocyclic compound - Carboxylic acid derivative - Azacycle - Organic salt - Organooxygen compound - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic bromide salt - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as hexamethonium compounds. These are organic compounds containing a N,N,N,N',N',N'-hexamethylhexane-1,6-diaminium moiety.
• 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

Cibles associées (humaines)

CHRM2 Tclin Muscarinic acetylcholine receptor M2 (3 Activities)

Discover Target: CHRM2

Activity Type	Activity Value -log(M)	Mechanism of Action	Activity Reference	Publications (PubMed IDs)

CHRM2 Tclin Muscarinic acetylcholine receptor M2 (10671 Activities)

Discover Target: CHRM2

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

CHRM5 Tclin Muscarinic acetylcholine receptor M5 (4677 Activities)

Discover Target: CHRM5

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Solvent:DMSO, Max Conc. mg/mL: 7.08, Max Conc. mM: 10
• Poids moléculaire: 708.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 15
• Exact Mass: 708.171 Da
• Monoisotopic Mass: 706.173 Da
• Topological Polar Surface Area: 74.800 Ų
• Heavy Atom Count: 42
• Formal Charge: 0
• Complexity: 810.000
• 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: 3

XLogP3

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at ?20 °C. Freezer storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships in an insulated container with ice pads. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 21093-51-6, the molecular formula is C32H44Br2N4O4, and the molecular weight is 708.53 g/mol. InChIKey DZRJZDQAGMZGGA-UHFFFAOYSA-L.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.