Dianhydrogalactitol

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

Identification

Name
Dianhydrogalactitol
Accession Number
DB12873
Type
Small Molecule
Groups
Investigational
Description

Dianhydrogalactitol has been used in trials studying the treatment of GBM, Glioma, Glioblastoma, Brain Cancer, and Glioblastoma Multiforme.

Structure
Thumb
Synonyms
Not Available
External IDs
NSC-1323313 / VAL-083
Product Ingredients
Not Available
Approved Prescription Products
Not Available
Approved Generic Prescription Products
Not Available
Approved Over the Counter Products
Not Available
Unapproved/Other Products
Not Available
International/Other Brands
Not Available
Brand mixtures
Not Available
Categories
UNII
4S465RYF7M
CAS number
23261-20-3
Weight
Average: 146.142
Monoisotopic: 146.057908802
Chemical Formula
C6H10O4
InChI Key
AAFJXZWCNVJTMK-GUCUJZIJSA-N
InChI
InChI=1S/C6H10O4/c7-5(3-1-9-3)6(8)4-2-10-4/h3-8H,1-2H2/t3-,4+,5+,6-
IUPAC Name
(1R,2S)-1-[(2R)-oxiran-2-yl]-2-[(2S)-oxiran-2-yl]ethane-1,2-diol
SMILES

Pharmacology

Indication
Not Available
Structured Indications
Not Available
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
DrugInteractionDrug group
AcetyldigitoxinAcetyldigitoxin may decrease the cardiotoxic activities of Val 083.Approved
BevacizumabBevacizumab may increase the cardiotoxic activities of Val 083.Approved, Investigational
CabazitaxelThe risk or severity of adverse effects can be increased when Cabazitaxel is combined with Val 083.Approved
CyclophosphamideCyclophosphamide may increase the cardiotoxic activities of Val 083.Approved, Investigational
DeslanosideDeslanoside may decrease the cardiotoxic activities of Val 083.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of Val 083.Approved
DigoxinDigoxin may decrease the cardiotoxic activities of Val 083.Approved
DocetaxelThe risk or severity of adverse effects can be increased when Docetaxel is combined with Val 083.Approved, Investigational
OleandrinAnvirzel may decrease the cardiotoxic activities of Val 083.Experimental
OuabainOuabain may decrease the cardiotoxic activities of Val 083.Approved
PaclitaxelThe risk or severity of adverse effects can be increased when Paclitaxel is combined with Val 083.Approved, Vet Approved
TrastuzumabTrastuzumab may increase the cardiotoxic activities of Val 083.Approved, Investigational
Food Interactions
Not Available

References

Synthesis Reference
Not Available
General References
Not Available
External Links
ChemSpider
19958948
ChEMBL
CHEMBL3137322
ATC Codes
Not Available
AHFS Codes
Not Available
PDB Entries
Not Available
FDA label
Not Available
MSDS
Not Available

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1, 2CompletedTreatmentBrain Cancer / GBM / Glioblastoma Multiforme / Glioblastomas / Gliomas1
1, 2Not Yet RecruitingTreatmentCancer, Ovarian1
2RecruitingTreatmentBrain Cancer / GBM / Glioblastoma Multiforme / Glioblastomas / Gliomas2
3RecruitingTreatmentBrain Cancer / GBM / Glioblastoma Multiforme / Glioblastomas / Gliomas1
Not AvailableAvailableNot AvailableCancers1

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 Solubility1000.0 mg/mLALOGPS
logP-1.4ALOGPS
logP-1.4ChemAxon
logS0.84ALOGPS
pKa (Strongest Acidic)12.77ChemAxon
pKa (Strongest Basic)-3.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area62.22 Å2ChemAxon
Rotatable Bond Count3ChemAxon
Refractivity31.38 m3·mol-1ChemAxon
Polarizability13.67 Å3ChemAxon
Number of Rings2ChemAxon
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 GC-MS Spectrum - GC-MSPredicted GC-MSNot Available
Predicted LC-MS/MS Spectrum - 10V, PositivePredicted LC-MS/MSNot Available
Predicted LC-MS/MS Spectrum - 20V, PositivePredicted LC-MS/MSNot Available
Predicted LC-MS/MS Spectrum - 40V, PositivePredicted LC-MS/MSNot Available
Predicted LC-MS/MS Spectrum - 10V, NegativePredicted LC-MS/MSNot Available
Predicted LC-MS/MS Spectrum - 20V, NegativePredicted LC-MS/MSNot Available
Predicted LC-MS/MS Spectrum - 40V, NegativePredicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as 1,2-diols. These are polyols containing an alcohol group at two adjacent positions.
Kingdom
Organic compounds
Super Class
Organic oxygen compounds
Class
Organooxygen compounds
Sub Class
Alcohols and polyols
Direct Parent
1,2-diols
Alternative Parents
Secondary alcohols / Oxacyclic compounds / Epoxides / Dialkyl ethers / Hydrocarbon derivatives
Substituents
Secondary alcohol / 1,2-diol / Oxacycle / Organoheterocyclic compound / Ether / Oxirane / Dialkyl ether / Hydrocarbon derivative / Aliphatic heteromonocyclic compound
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
Not Available
Drug created on October 20, 2016 18:56 / Updated on September 01, 2017 12:25