Diethylnorspermine

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

Identification

Name
Diethylnorspermine
Accession Number
DB06445
Type
Small Molecule
Groups
Investigational
Description
Not Available
Structure
Thumb
Synonyms
Not Available
External IDs
BE-333 / DE-333
Categories
UNII
HLI827Z1ST
CAS number
121749-39-1
Weight
Average: 244.427
Monoisotopic: 244.262697046
Chemical Formula
C13H32N4
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

Pharmacology

Indication

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

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
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
DrugInteraction
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 acidThe therapeutic efficacy of Diethylnorspermine can be decreased when used in combination with Acetylsalicylic acid.
AlclofenacThe therapeutic efficacy of Diethylnorspermine can be decreased when used in combination with Alclofenac.
AlfuzosinAlfuzosin may increase the hypotensive activities of Diethylnorspermine.
AliskirenDiethylnorspermine may increase the hypotensive activities of Aliskiren.
AlminoprofenThe therapeutic efficacy of Diethylnorspermine can be decreased when used in combination with Alminoprofen.
AlprenololAlprenolol may increase the hypotensive activities of Diethylnorspermine.
AmbrisentanAmbrisentan may increase the hypotensive activities of Diethylnorspermine.
Food Interactions
Not Available

References

General References
Not Available
External Links
ChemSpider
4131
ChEMBL
CHEMBL44083

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-MSNot Available
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

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
Secondary aliphatic amine / Organopnictogen compound / Hydrocarbon derivative / Aliphatic acyclic compound
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
a small molecule (CPD-10690)

Drug created on March 19, 2008 10:33 / Updated on November 02, 2018 06:16