NAV

Dianhydrogalactitol

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

Identification

Generic Name
Dianhydrogalactitol
DrugBank Accession Number
DB12873
Background

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

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 146.142
Monoisotopic: 146.057908802
Chemical Formula
C6H10O4
Synonyms
  • 1,2:5,6-Dianhdrogalactitol
  • 1,2:5,6-Dianhydrogalactitol
  • Dianhydrogalactitol
External IDs
  • NSC-1323313
  • VAL-083
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Pharmacology

Indication

Not Available

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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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
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interactions in your software
AmbroxolThe risk or severity of methemoglobinemia can be increased when Dianhydrogalactitol is combined with Ambroxol.
ArticaineThe risk or severity of methemoglobinemia can be increased when Dianhydrogalactitol is combined with Articaine.
BenzocaineThe risk or severity of methemoglobinemia can be increased when Dianhydrogalactitol is combined with Benzocaine.
Benzyl alcoholThe risk or severity of methemoglobinemia can be increased when Dianhydrogalactitol is combined with Benzyl alcohol.
BupivacaineThe risk or severity of methemoglobinemia can be increased when Dianhydrogalactitol is combined with Bupivacaine.
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
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
1,2-diol / Aliphatic heteromonocyclic compound / Dialkyl ether / Ether / Hydrocarbon derivative / Organoheterocyclic compound / Oxacycle / Oxirane / Secondary alcohol
Molecular Framework
Aliphatic heteromonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
4S465RYF7M
CAS number
23261-20-3
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
O[C@@H]([C@@H](O)[C@H]1CO1)[C@@H]1CO1

References

General References
Not Available
PubChem Compound
15942827
PubChem Substance
347829029
ChemSpider
19958948
ChEMBL
CHEMBL3137322
ZINC
ZINC000004963497

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
PhaseStatusPurposeConditionsCount
3TerminatedTreatmentBrain Cancer / Glioblastoma Multiforme (GBM) / Glioma / High Grade Glioma: Glioblastoma (GBM)1
2Active Not RecruitingTreatmentBrain Cancer / Glioblastoma Multiforme (GBM) / Glioma / High Grade Glioma: Glioblastoma (GBM)2
2, 3RecruitingTreatmentHigh Grade Glioma: Glioblastoma (GBM)1
1, 2CompletedTreatmentBrain Cancer / Glioblastoma Multiforme (GBM) / Glioma / High Grade Glioma: Glioblastoma (GBM)1
1, 2WithdrawnTreatmentOvarian Cancer1

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-MSsplash10-00dl-9100000000-751306ca034e9e359616
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-01r6-9500000000-207850a315e2d7026217
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-004r-9700000000-b6de2583da0db8c43cc2
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0006-9300000000-85da4f9c9e4c70c25c41
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-9000000000-818581305de698310ee2
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9000000000-78a68e9d219673d589bd
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-004j-9000000000-86acd10b57cf9e95b6ff
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]-133.90276
predicted
DeepCCS 1.0 (2019)
[M+H]+136.09013
predicted
DeepCCS 1.0 (2019)
[M+Na]+142.00267
predicted
DeepCCS 1.0 (2019)

Drug created at October 21, 2016 00:56 / Updated at December 01, 2022 11:28