Triheptanoin

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

Identification

Name
Triheptanoin
Accession Number
DB11677
Type
Small Molecule
Groups
Investigational
Description

Triheptanoin is under investigation for the treatment of Glycogen Storage Disease Type V and Alternating Hemiplegia of Childhood. Triheptanoin has been investigated for the treatment of Adult Polyglucosan Body Disease, Glycogen Storage Disease Type IV, and Glycogen Brancher Enzyme Deficiency.

Structure
Thumb
Synonyms
Not Available
Categories
UNII
2P6O7CFW5K
CAS number
620-67-7
Weight
Average: 428.61
Monoisotopic: 428.313789137
Chemical Formula
C24H44O6
InChI Key
PJHKBYALYHRYSK-UHFFFAOYSA-N
InChI
InChI=1S/C24H44O6/c1-4-7-10-13-16-22(25)28-19-21(30-24(27)18-15-12-9-6-3)20-29-23(26)17-14-11-8-5-2/h21H,4-20H2,1-3H3
IUPAC Name
1,3-bis(heptanoyloxy)propan-2-yl heptanoate
SMILES
CCCCCCC(=O)OCC(COC(=O)CCCCCC)OC(=O)CCCCCC

Pharmacology

Indication
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
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
69286
PubChem Substance
347828045
ChemSpider
62497
Wikipedia
Triheptanoin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
0Not Yet RecruitingTreatmentGLUT1DS11
0Not Yet RecruitingTreatmentGlycogen Storage Disease Type I1
0Not Yet RecruitingTreatmentMigraines1
1Active Not RecruitingTreatmentEpilepsies / Glucose Metabolism Disorders / Glucose Transport Defect / Glucose Transporter Protein Type 1 Deficiency Syndrome / Glucose Transporter Type 1 Deficiency Syndrome / Glut1 Deficiency Syndrome 1, Autosomal Recessive / GLUT1DS11
1AvailableNot AvailableGlucose Transporter Type 1 Deficiency Syndrome / Glut1 Deficiency Syndrome1
1Unknown StatusBasic ScienceGlucose Transporter Type 1 Deficiency Syndrome / Glut1 Deficiency Syndrome1
1, 2Active Not RecruitingTreatmentAmyotrophic Lateral Sclerosis (ALS)1
1, 2CompletedTreatmentFrontal Lobe Hypometabolism1
1, 2Not Yet RecruitingBasic ScienceGlucose Transporter Type 1 Deficiency Syndrome / Glut1 Deficiency Syndrome1
2Active Not RecruitingTreatmentAlternating Hemiplegia of Childhood1
2Active Not RecruitingTreatmentGlucose Transporter Type 1 Deficiency Syndrome1
2CompletedTreatmentAdult Polyglucosan Body Disease / Glycogen Brancher Enzyme Deficiency / Glycogen Storage Disease Type IV1
2CompletedTreatmentCarnitine Palmitoyltransferase (CPT II) Deficiency / Long-chain Fatty Acid Oxidation Disorders (LC-FAOD) / Longchain 3-hydroxy-acyl-CoA Dehydrogenase (LCHAD) Deficiency / Trifunctional Protein (TFP) Deficiency / Very Long Chain Acyl-CoA Dehydrogenase (VLCAD) Deficiency1
2CompletedTreatmentCarnitine Palmitoyltransferase 2 (CPT2) Deficiency / Long-chain 3 hydroxyacylCoA Dehydrogenase (LCHAD) Deficiency / Mitochondrial Trifunctional Protein (TFP) Deficiency / Very Long-chain acylCoA Dehydrogenase (VLCAD) Deficiency1
2CompletedTreatmentGlucose Transporter Type 1 Deficiency Syndrome (Glut1 DS)1
2Enrolling by InvitationTreatmentCarnitine Palmitoyltransferase (CPT I or CPT II) Deficiency / Carnitine-acylcarnitine Translocase (CACT) Deficiency / Long-chain 3-hydroxy-acyl-CoA Dehydrogenase (LCHAD) Deficiency / Trifunctional Protein (TFP) Deficiency / Very Long Chain Acyl-CoA Dehydrogenase (VLCAD) Deficiency1
2Enrolling by InvitationTreatmentGlucose Transporter Type 1 Deficiency Syndrome1
2Not Yet RecruitingTreatmentGlycogen Storage Disease Type V1
2Not Yet RecruitingTreatmentRett's Syndrome1
2RecruitingTreatmentDebrancher Deficiency / GYG1 deficiency / Tarui Disease1
2RecruitingTreatmentEpilepsies / Glucose Metabolism Disorders / Glucose Transport Defect / Glucose Transporter Protein Type 1 Deficiency Syndrome / Glucose Transporter Type 1 Deficiency Syndrome / Glut1 Deficiency Syndrome 1, Autosomal Recessive / GLUT1DS11
2RecruitingTreatmentGlucose Transporter Type-1 Deficiency Syndrome (Glut1 DS)1
2RecruitingTreatmentGlycogen Storage Disease Type V1
2RecruitingTreatmentRett's Syndrome1
3WithdrawnTreatmentLong-chain Fatty Acid Transport Deficiency1
Not AvailableAvailableNot AvailableACYL-CoA DEHYDROGENASE FAMILY, MEMBER 9, DEFICIENCY of / Barth Syndrome / Carnitine Palmitoyltransferase Deficiencies (CPT1, CPT2) / Glycogen Storage Disorders / Long-chain Hydroxyacyl-CoA Dehydrogenase Deficiency / Mitochondrial Trifunctional Protein Deficiency / Pyruvate Carboxylase Deficiency Disease / Very Long-chain acylCoA Dehydrogenase (VLCAD) Deficiency1
Not AvailableNo Longer AvailableNot AvailableCitrate Transporter Deficiency / SLC13A5 Gene Mutation1
Not AvailableNo Longer AvailableNot AvailableGlucose Transporter 1 Deficiency Syndrome1

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 Solubility0.000415 mg/mLALOGPS
logP6.42ALOGPS
logP6.92ChemAxon
logS-6ALOGPS
pKa (Strongest Basic)-6.6ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area78.9 Å2ChemAxon
Rotatable Bond Count23ChemAxon
Refractivity117.06 m3·mol-1ChemAxon
Polarizability52.67 Å3ChemAxon
Number of Rings0ChemAxon
Bioavailability0ChemAxon
Rule of FiveNoChemAxon
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 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 triacylglycerols. These are glycerides consisting of three fatty acid chains covalently bonded to a glycerol molecule through ester linkages.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Glycerolipids
Sub Class
Triradylcglycerols
Direct Parent
Triacylglycerols
Alternative Parents
Tricarboxylic acids and derivatives / Fatty acid esters / Carboxylic acid esters / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Triacyl-sn-glycerol / Tricarboxylic acid or derivatives / Fatty acid ester / Fatty acyl / Carboxylic acid ester / Carboxylic acid derivative / Organic oxygen compound / Organic oxide / Hydrocarbon derivative / Organooxygen compound
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 14:39 / Updated on November 02, 2018 07:14