NAV

Diethylnorspermine

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Diethylnorspermine
DrugBank Accession Number
DB06445
Background

Not Available

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 244.427
Monoisotopic: 244.262697046
Chemical Formula
C13H32N4
Synonyms
  • 1,3-PROPANEDIAMINE, N,N'-BIS(3-(ETHYLAMINO)PROPYL)-
  • DENSPM
  • N(1),N(11)-Diethylnorspermine
  • N1,N11-Diethylnorspermine
External IDs
  • BE-333
  • DE-333
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Pharmacology

Indication

Investigated for use/treatment in renal cell carcinoma, pancreatic cancer, melanoma, and lung cancer.

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Contraindications & Blackbox Warnings
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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
DrugInteraction
Integrate drug-drug
interactions in your software
AbaloparatideAbaloparatide may increase the hypotensive activities of N1,N11-Diethylnorspermine.
AcebutololAcebutolol may increase the hypotensive activities of Diethylnorspermine.
AceclofenacThe therapeutic efficacy of Diethylnorspermine can be decreased when used in combination with Aceclofenac.
AcemetacinThe therapeutic efficacy of Diethylnorspermine can be decreased when used in combination with Acemetacin.
Acetylsalicylic acidAcetylsalicylic acid may decrease the antihypertensive activities of Diethylnorspermine.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as dialkylamines. These are organic compounds containing a dialkylamine group, characterized by two alkyl groups bonded to the amino nitrogen.
Kingdom
Organic compounds
Super Class
Organic nitrogen compounds
Class
Organonitrogen compounds
Sub Class
Amines
Direct Parent
Dialkylamines
Alternative Parents
Organopnictogen compounds / Hydrocarbon derivatives
Substituents
Aliphatic acyclic compound / Hydrocarbon derivative / Organopnictogen compound / Secondary aliphatic amine
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
a small molecule (CPD-10690)
Affected organisms
Not Available

Chemical Identifiers

UNII
HLI827Z1ST
CAS number
121749-39-1
InChI Key
UMJJGDUYVQCBMC-UHFFFAOYSA-N
InChI
InChI=1S/C13H32N4/c1-3-14-8-5-10-16-12-7-13-17-11-6-9-15-4-2/h14-17H,3-13H2,1-2H3
IUPAC Name
3,7,11,15-tetraazaheptadecane
SMILES
CCNCCCNCCCNCCCNCC

References

General References
Not Available
Human Metabolome Database
HMDB0251000
ChemSpider
4131
ChEMBL
CHEMBL44083
ZINC
ZINC000003780932

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2TerminatedTreatmentHepatocellular Carcinoma1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.239 mg/mLALOGPS
logP0.77ALOGPS
logP-0.39Chemaxon
logS-3ALOGPS
pKa (Strongest Basic)10.75Chemaxon
Physiological Charge3Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area48.12 Å2Chemaxon
Rotatable Bond Count14Chemaxon
Refractivity76.96 m3·mol-1Chemaxon
Polarizability33.2 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-066r-7920000000-aacce0b6c70c333cff58
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-0090000000-86779f60f55eb03cb7e7
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-0090000000-34e9a837a8b48c161c66
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0f72-9280000000-1a0bd14f18e31686412d
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-1390000000-c8d1df44295b1a295150
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0abl-9000000000-4b052d3b16bae420bf69
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9500000000-759e45ef222bb2106482
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-155.68947
predicted
DeepCCS 1.0 (2019)
[M+H]+159.2519
predicted
DeepCCS 1.0 (2019)
[M+Na]+168.60474
predicted
DeepCCS 1.0 (2019)

Drug created at March 19, 2008 16:33 / Updated at July 18, 2023 22:56