Sepantronium

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

Identification

Generic Name
Sepantronium
DrugBank Accession Number
DB17062
Background

Sepantronium is a compound that suppresses survivin expression in a dose and time-dependent manner, and causes broad-range apoptosis.1

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 363.396
Monoisotopic: 363.145166908
Chemical Formula
C20H19N4O3
Synonyms
  • 1h-naphth(2,3-d)imidazolium, 4,9-dihydro-1-(2-methoxyethyl)-2-methyl-4,9-dioxo-3-(2-pyrazinylmethyl)-
  • Sepantronium cation
  • Sepantronium ion

Pharmacology

Indication

Not Available

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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.
Not Available
Food Interactions
Not Available

Products

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Product Ingredients
IngredientUNIICASInChI Key
Sepantronium bromide7H5Q4J1CM5781661-94-7Not applicable

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
UZ77T1VFBM
CAS number
753440-91-4
InChI Key
OTSOOHRUMBRSHZ-UHFFFAOYSA-N
InChI
InChI=1S/C20H19N4O3/c1-13-23(9-10-27-2)17-18(24(13)12-14-11-21-7-8-22-14)20(26)16-6-4-3-5-15(16)19(17)25/h3-8,11H,9-10,12H2,1-2H3/q+1
IUPAC Name
3-(2-methoxyethyl)-2-methyl-4,9-dioxo-1-[(pyrazin-2-yl)methyl]-1H,4H,9H-naphtho[2,3-d]imidazol-3-ium
SMILES
COCC[N+]1=C(C)N(CC2=NC=CN=C2)C2=C1C(=O)C1=CC=CC=C1C2=O

References

General References
  1. Hong M, Ren M, Silva J, Kennedy T, Choi J, Cowell JK, Hao Z: Sepantronium is a DNA damaging agent that synergizes with PLK1 inhibitor volasertib. Am J Cancer Res. 2014 Mar 1;4(2):135-47. eCollection 2014. [Article]
ChemSpider
8301708
BindingDB
420311
ChEBI
94552
ChEMBL
CHEMBL2110734
ZINC
ZINC000001908550
PDBe Ligand
GXU
PDB Entries
7d7l

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2CompletedTreatmentBreast Cancer1
2CompletedTreatmentLung Cancer / Non-Small Cell Lung Carcinoma1
2CompletedTreatmentMelanoma2
2CompletedTreatmentMelanoma / Non-Hodgkin's Lymphoma (NHL) / Prostate Cancer1
2CompletedTreatmentNon-Hodgkin's Lymphoma (NHL)1

Pharmacoeconomics

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

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.00645 mg/mLALOGPS
logP0.02ALOGPS
logP-3.7Chemaxon
logS-4.8ALOGPS
pKa (Strongest Basic)0.58Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area77.96 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity109.73 m3·mol-1Chemaxon
Polarizability38.57 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available

Drug created at October 11, 2022 19:22 / Updated at December 13, 2022 10:46