N1-Acetylspermine trihydrochloride - Moligand™,≥97% , CAS No.77928-70-2

CAS: 77928-70-2 Cat. No.: N301514 Molecular Weight: 353.76 EC Number: 634-755-8 PubChem CID: 16211018

GRADE & PURITY Moligand™, ≥97%

Synonyms

N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide trihydrochloride | N1-Acetylspermine (hydrochloride)

Storage

Store at -20°C,Argon charged

Shipped In

Ice chest + Ice pads

Overview

N1-Acetylspermine trihydrochloride is a monoacetylated derivative of spermine which is an endogenous polyamine. N1-Acetylspermine trihydrochloride can be used in studies about the uptake of the anticancer polyamine analog bleomycin-A5 by the human carnitine transporter SLC22A16.

Application：

N1-Acetylspermine trihydrochloride has been used in a study to determine that the human carnitine transporter SLC22A16 mediates high affinity uptake of the anticancer polyamine analogue bleomycin-A5.

Specifications

Synonyms

N-[3-({4-[(3-aminopropyl)amino]butyl}amino)propyl]acetamide trihydrochloride | N1-Acetylspermine (hydrochloride)

Specifications & Purity

Moligand™, ≥97%

Storage

Store at -20°C, Argon charged

Shipped In

Ice chest + Ice pads

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

Grade

Moligand™

Purity

≥97%

Names and Identifiers

• Canonical Smiles: CC(=O)NCCCNCCCCNCCCN.Cl.Cl.Cl
• IUPAC Name: N-[3-[4-(3-aminopropylamino)butylamino]propyl]acetamide;trihydrochloride
• InChIKey: QQSPUTBJDXPUCR-UHFFFAOYSA-N
• INCHI: 1S/C12H28N4O.3ClH/c1-12(17)16-11-5-10-15-8-3-2-7-14-9-4-6-13;;;/h14-15H,2-11,13H2,1H3,(H,16,17);3*1H
• Isomeric SMILES: CC(=O)NCCCNCCCCNCCCN.Cl.Cl.Cl
• Alternate CAS: Free base: 25593-72-0
• PubChem CID: 16211018
• Molecular Weight: 353.76

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives
        • Level5 Carboxylic acid amides
          • Level6 Acetamides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Carboxylic acid amides
• Direct Parent: Acetamides
• Alternative Parents: Secondary carboxylic acid amides Amino acids and derivatives Dialkylamines Organopnictogen compounds Organic oxides Monoalkylamines Hydrochlorides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Acetamide - Secondary carboxylic acid amide - Amino acid or derivatives - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Carbonyl group - Amine - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as acetamides. These are organic compounds with the general formula RNHC(=O)CH3, where R= organyl 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: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
• Sensitivity: Moisture sensitive
• Melt Point(°C): >256°C (dec.)
• Molecular Weight: 353.800 g/mol
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 352.156 Da
• Monoisotopic Mass: 352.156 Da
• Topological Polar Surface Area: 79.200 Ų
• Heavy Atom Count: 20
• Formal Charge: 0
• Complexity: 176.000
• 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: 4

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