Zuretinol acetate

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

Identification

Name
Zuretinol acetate
Accession Number
DB12112
Type
Small Molecule
Groups
Investigational
Description

Zuretinol acetate has been used in trials studying the treatment of Impaired Dark Adaptation, RP (Retinitis Pigmentosa), Retinitis Pigmentosa (RP), and LCA (Leber Congenital Amaurosis).

Structure
Thumb
Synonyms
Not Available
External IDs
QLT-091001 / QLT091001
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
2K3YP54BYU
CAS number
29584-22-3
Weight
Average: 328.4883
Monoisotopic: 328.240230268
Chemical Formula
C22H32O2
InChI Key
QGNJRVVDBSJHIZ-AQDFTDIISA-N
InChI
InChI=1S/C22H32O2/c1-17(9-7-10-18(2)14-16-24-20(4)23)12-13-21-19(3)11-8-15-22(21,5)6/h7,9-10,12-14H,8,11,15-16H2,1-6H3/b10-7+,13-12+,17-9-,18-14+
IUPAC Name
(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl acetate
SMILES
CC(=O)OC\C=C(/C)\C=C\C=C(\C)/C=C/C1=C(C)CCCC1(C)C

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 Qlt091001.Approved
BevacizumabBevacizumab may increase the cardiotoxic activities of Qlt091001.Approved, Investigational
CabazitaxelThe risk or severity of adverse effects can be increased when Cabazitaxel is combined with Qlt091001.Approved
CyclophosphamideCyclophosphamide may increase the cardiotoxic activities of Qlt091001.Approved, Investigational
DeslanosideDeslanoside may decrease the cardiotoxic activities of Qlt091001.Approved
DigitoxinDigitoxin may decrease the cardiotoxic activities of Qlt091001.Approved
DigoxinDigoxin may decrease the cardiotoxic activities of Qlt091001.Approved
DocetaxelThe risk or severity of adverse effects can be increased when Docetaxel is combined with Qlt091001.Approved, Investigational
OleandrinAnvirzel may decrease the cardiotoxic activities of Qlt091001.Experimental
OuabainOuabain may decrease the cardiotoxic activities of Qlt091001.Approved
PaclitaxelThe risk or severity of adverse effects can be increased when Paclitaxel is combined with Qlt091001.Approved, Vet Approved
TrastuzumabTrastuzumab may increase the cardiotoxic activities of Qlt091001.Approved, Investigational
Food Interactions
Not Available

References

Synthesis Reference
Not Available
General References
Not Available
External Links
Human Metabolome Database
HMDB35185
ChemSpider
8421459
ATC Codes
Not Available
AHFS Codes
Not Available
PDB Entries
Not Available
FDA label
Not Available
MSDS
Not Available

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedNot AvailableHealthy Human Volunteers1
1CompletedTreatmentLCA (Leber Congenital Amaurosis) / RP (Retinitis Pigmentosa)2
1CompletedTreatmentRetinitis Pigmentosa (RP)1
2CompletedTreatmentImpaired Dark Adaptation1

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 Solubility0.00238 mg/mLALOGPS
logP6.56ALOGPS
logP5.14ChemAxon
logS-5.1ALOGPS
pKa (Strongest Basic)-7ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area26.3 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity107.07 m3·mol-1ChemAxon
Polarizability40.52 Å3ChemAxon
Number of Rings1ChemAxon
Bioavailability1ChemAxon
Rule of FiveNoChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
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 chemical entities known as retinoids. These are oxygenated derivatives of 3,7-dimethyl-1-(2,6,6-trimethylcyclohex-1-enyl)nona-1,3,5,7-tetraene and derivatives thereof.
Kingdom
Chemical entities
Super Class
Organic compounds
Class
Lipids and lipid-like molecules
Sub Class
Prenol lipids
Direct Parent
Retinoids
Alternative Parents
Diterpenoids / Fatty alcohol esters / Carboxylic acid esters / Monocarboxylic acids and derivatives / Organic oxides / Hydrocarbon derivatives / Carbonyl compounds
Substituents
Retinoid skeleton / Diterpenoid / Fatty alcohol ester / Carboxylic acid ester / Monocarboxylic acid or derivatives / Carboxylic acid derivative / Organic oxygen compound / Organic oxide / Hydrocarbon derivative / Organooxygen compound
Molecular Framework
Aliphatic homomonocyclic compounds
External Descriptors
Not Available
Drug created on October 20, 2016 15:22 / Updated on September 01, 2017 12:17