N1,N12-Diethylspermine tetrahydrochloride - ≥97% , CAS No.113812-15-0

CAS: 113812-15-0 Cat. No.: N286536 Molecular Weight: 404.29 PubChem CID: 14056749

GRADE & PURITY ≥97%

Synonyms

N1, N12-Diethylspermine·4HCl | BE 343 (tetrahydrochloride) | 1,4-Butanediamine, N1,N4-bis[3-(ethylamino)propyl]-, hydrochloride (1:4) | N1,N12-Diethylspermine tetrahydrochloride | DE-343 tetrahydrochloride | N,N'-bis[3-(Ethylamino)propyl]-1,4-butanediamin

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Overview

N1,N12-Diethylspermine tetrahydrochloride is a powerful antineoplastic agent in cultured cells and animal tumors (IC50 = 0.2 μM in L1210 cells). Inhibitor of polyamine synthases. Suppressor of mitochondrial DNA synthesis.

Specifications

Synonyms

N1, N12-Diethylspermine·4HCl | BE 343 (tetrahydrochloride) | 1, 4-Butanediamine, N1, N4-bis[3-(ethylamino)propyl]-, hydrochloride (1:4) | N1, N12-Diethylspermine tetrahydrochloride | DE-343 tetrahydrochloride | N, N'-bis[3-(Ethylamino)propyl]-1, 4-butanediamin

Specifications & Purity

≥97%

Biochemical and Physiological Mechanisms

Powerful antineoplastic agent in cultured cells and animal tumors (IC50= 0.2μM in L1210 cells). Inhibitor of polyamine synthases. Suppressor of mitochondrial DNA synthesis.

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.

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CCNCCCNCCCCNCCCNCC.Cl.Cl.Cl.Cl
• IUPAC Name: N,N'-bis[3-(ethylamino)propyl]butane-1,4-diamine;tetrahydrochloride
• InChIKey: SCYOBNRPMHJGLB-UHFFFAOYSA-N
• INCHI: 1S/C14H34N4.4ClH/c1-3-15-11-7-13-17-9-5-6-10-18-14-8-12-16-4-2;;;;/h15-18H,3-14H2,1-2H3;4*1H
• Isomeric SMILES: CCNCCCNCCCCNCCCNCC.Cl.Cl.Cl.Cl
• PubChem CID: 14056749
• Molecular Weight: 404.29

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: Quaternary ammonium salts
• Alternative Parents: Dialkylamines Organic chloride salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Quaternary ammonium salt - Secondary aliphatic amine - Hydrocarbon derivative - Organic chloride salt - Organic salt - Amine - Organic cation - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as quaternary ammonium salts. These are compounds containing positively charged polyatomic ion of the structure NR4+, R being an alkyl group or an aryl 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

• Solubility: Solvent:water, Max Conc. mg/mL: None, Max Conc. mM: 100
• Sensitivity: Moisture sensitive
• Molecular Weight: 404.300 g/mol
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 15
• Exact Mass: 404.182 Da
• Monoisotopic Mass: 402.185 Da
• Topological Polar Surface Area: 48.100 Ų
• Heavy Atom Count: 22
• Formal Charge: 0
• Complexity: 126.000
• 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: 5

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