N1-acetylspermine

Base Information

• Chemical Name: N1-acetylspermine
• CAS No.: 25593-72-0
• Molecular Formula: C12H28 N4 O
• Molecular Weight: 244.381
• Hs Code.: 2924199090
• DSSTox Substance ID: DTXSID40180274
• Nikkaji Number: J402.973I
• Wikidata: Q3869338
• Metabolomics Workbench ID: 37648
• ChEMBL ID: CHEMBL131004
• Mol file: 25593-72-0.mol

Synonyms:N'-acetylspermine;N'-monoacetylspermine;N(1)-acetylspermine;N-acetylspermine

Chemical Property of N1-acetylspermine

Chemical Property:

• Vapor Pressure: 4.84E-08mmHg at 25°C
• Boiling Point: 442.9°C at 760 mmHg
• PKA: 16.38±0.46(Predicted)
• Flash Point: 221.7°C
• PSA: 82.67000
• Density: 0.962g/cm³
• LogP: 2.14320
• XLogP3: -0.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 12
• Exact Mass: 244.22631153
• Heavy Atom Count: 17
• Complexity: 176

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)NCCCNCCCCNCCCN

Technology Process of N1-acetylspermine

There total 1 articles about N1-acetylspermine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 33.0%

Spermine (71-44-3) + α-D-glucopyranose peracetylate (604-68-2) → N1-acetylspermine (25593-72-0)

Guidance literature:

In ethanol; at 20 ℃; for 24h;

DOI:10.1016/j.bmc.2007.11.065

Reference yield:

N1-acetylspermine (25593-72-0) → Trimethylenediamine (109-76-2,54018-94-9) + N-(3-acetamidopropyl)-4-aminobutanal

Guidance literature:

With KPi buffer; oxygen; at 37 ℃; for 0.166667h; catalase and polyamine oxidase presence, both bound or not bound to hydroxyapatite, other reagent: NaPi buffer, pH 6 or 6.5, other polyamines and acetylpolyamines, kinetic constants K_m (μM) and V_max (μmol H2O2 formed μg protein^-1 min^-1);

DOI:10.1016/0031-9422(96)00316-0

Reference yield:

N1-acetylspermine (25593-72-0) → N-(3-aminopropyl)-1,4-diaminobutane (124-20-9) + N-acetyl-3-aminopropanaldehyde (73323-68-9)

Guidance literature:

With mouse polyamine oxidase; water; tris hydrochloride; glycerol; at 20 ℃; pH-value; Reagent/catalyst; Kinetics; Enzymatic reaction;

DOI:10.1016/j.abb.2010.04.015

upstream raw materials:

Spermine

α-D-glucopyranose peracetylate

Downstream raw materials:

Trimethylenediamine

N-(3-aminopropyl)-1,4-diaminobutane

N-acetyl-3-aminopropanaldehyde

Refernces