Dimethyl-W84 dibromide - ≥98% , CAS No.402475-33-6

CAS: 402475-33-6 Cat. No.: D275490 Molecular Weight: 576.772799

GRADE & PURITY ≥98%

Synonyms

N,N'-Bis[3-(1,3-dihydro-5-methyl-1,3-dioxo-2H-isoindol-2-yl)propyl]-N,N,N

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Overview

Store at +4°C. Store under desiccating conditions. The product can be stored for up to 12 months.

Specifications

Synonyms

N, N'-Bis[3-(1, 3-dihydro-5-methyl-1, 3-dioxo-2H-isoindol-2-yl)propyl]-N, N, N

Specifications & Purity

≥98%

Biochemical and Physiological Mechanisms

Highly potent allosteric M 2 -receptor selective modulator. Interacts with the common allosteric site and retards the dissociation of N-methylscopolamine from the receptor (EC 50 diss = 3 nM).

Storage

Store at 2-8°C, Desiccated

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

MODULATOR

Note

Wherever possible, you should prepare and use solutions on the same day. However, if you need to make up stock solutions in advance, we recommend that you store the solution as aliquots in tightly sealed vials at -20°C. Generally, these will be useable for up to one month. Before use, and prior to opening the vial we recommend that you allow your product to equilibrate to room temperature for at least 1 hour. Need more advice on solubility, usage and handling? Please visit our frequently asked questions (FAQ) page for more details.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC1=CC2=C(C=C1)C(=O)N(C2=O)CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN3C(=O)C4=C(C3=O)C=C(C=C4)C.[Br-].[Br-]
• IUPAC Name: 6-[dimethyl-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propyl]azaniumyl]hexyl-dimethyl-[3-(5-methyl-1,3-dioxoisoindol-2-yl)propyl]azanium;dibromide
• InChIKey: JDKHHBPNUMYHFM-UHFFFAOYSA-L
• INCHI: 1S/C34H48N4O4.2BrH/c1-25-13-15-27-29(23-25)33(41)35(31(27)39)17-11-21-37(3,4)19-9-7-8-10-20-38(5,6)22-12-18-36-32(40)28-16-14-26(2)24-30(28)34(36)42;;/h13-16,23-24H,7-12,17-22H2,1-6H3;2*1H/q+2;;/p-2
• Isomeric SMILES: CC1=CC2=C(C=C1)C(=O)N(C2=O)CCC[N+](C)(C)CCCCCC[N+](C)(C)CCCN3C(=O)C4=C(C3=O)C=C(C=C4)C.[Br-].[Br-]
• Molecular Weight: 576.772799
• Reaxy-Rn: 9247775
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9247775&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: 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 Tertiary amines Amino acids and derivatives Azacyclic compounds Organooxygen compounds Organic oxides Organic bromide salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Hexamethonium - Phthalimide - Isoindolone - Isoindoline - Isoindole - Isoindole or derivatives - Carboxylic acid imide, n-substituted - Benzenoid - Carboxylic acid imide - Tetraalkylammonium salt - Amino acid or derivatives - Tertiary amine - Organoheterocyclic compound - Azacycle - Carboxylic acid derivative - Organooxygen compound - Organic salt - Organic bromide salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - Organic cation - 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

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in water and in DMSO