Magnesium ionophore III（ETH 4030） - Moligand™, ≥95% , CAS No.119110-38-2

CAS: 119110-38-2 Cat. No.: M346975 Molecular Weight: 538.81

GRADE & PURITY Moligand™, ≥95%

Synonyms

AKOS015910826 | N,N''-Octamethylene-bis(N'-heptyl-N'-methylmalonamide) | N'-heptyl-N-[8-[[3-[heptyl(methyl)amino]-3-oxopropanoyl]amino]octyl]-N'-methylpropanediamide | ETH 4030(Magnesium ionophore III) | ETH 4030

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

Magnesium ionophore III is an onophore used in solvent polymeric membrane electrodes for the assay of Mg2+ activities in blood serum in vitro.

Magnesium ionophore III (ETH 4030) is an ionophore that has the activity of regulating the intracellular magnesium concentration. Magnesium ionophore III can promote the permeability of cell membranes to magnesium ions and enhance cell functions and metabolic activities. Magnesium ionophore III is also used to study the importance of magnesium ions in biological processes and its effects on cell physiology.

Specifications

Synonyms

AKOS015910826 | N, N''-Octamethylene-bis(N'-heptyl-N'-methylmalonamide) | N'-heptyl-N-[8-[[3-[heptyl(methyl)amino]-3-oxopropanoyl]amino]octyl]-N'-methylpropanediamide | ETH 4030(Magnesium ionophore III) | ETH 4030

Specifications & Purity

Moligand™, ≥95%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Purity

≥95%

Names and Identifiers

• Canonical Smiles: CCCCCCCN(C)C(=O)CC(=O)NCCCCCCCCNC(=O)CC(=O)N(C)CCCCCCC
• IUPAC Name: N'-heptyl-N-[8-[[3-[heptyl(methyl)amino]-3-oxopropanoyl]amino]octyl]-N'-methylpropanediamide
• InChIKey: MXMJPDBVBJZBCA-UHFFFAOYSA-N
• INCHI: 1S/C30H58N4O4/c1-5-7-9-15-19-23-33(3)29(37)25-27(35)31-21-17-13-11-12-14-18-22-32-28(36)26-30(38)34(4)24-20-16-10-8-6-2/h5-26H2,1-4H3,(H,31,35)(H,32,36)
• Isomeric SMILES: CCCCCCCN(C)C(=O)CC(=O)NCCCCCCCCNC(=O)CC(=O)N(C)CCCCCCC
• Molecular Weight: 538.81
• Reaxy-Rn: 6016307
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6016307&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Class Organooxygen compounds
      • Subclass Carbonyl compounds

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Class: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3-dicarbonyl compounds
• Alternative Parents: Tertiary carboxylic acid amides Secondary carboxylic acid amides Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: 1,3-dicarbonyl compound - Tertiary carboxylic acid amide - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as 1,3-dicarbonyl compounds. These are carbonyl compounds with the generic formula O=C(R)C(H)C(R')=O, where R and R' can be any 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

Chemical and Physical Properties

• Molecular Weight: 538.800 g/mol
• XLogP3: 6.400
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 25
• Exact Mass: 538.446 Da
• Monoisotopic Mass: 538.446 Da
• Topological Polar Surface Area: 98.800 Ų
• Heavy Atom Count: 38
• Formal Charge: 0
• Complexity: 588.000
• 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: 1