Mitoquinone mesylateProduct ingredient for Mitoquinone

Name
Mitoquinone mesylate
Drug Entry
Mitoquinone

Mitoquinone is based on a novel technology, targeted lipophilic cations, that transport and concentrate antioxidants into the mitochondria -- organelles inside cells that provide energy for life processes -- where they accumulate up to a thousand fold. In 2004, a genomic study of hereditary early-onset Parkinson's disease demonstrated a direct molecular link between mitochondrial dysfunction and the pathogenesis of Parkinson's disease. Mitochondrial dysfunction also has been shown to represent an early critical event in the pathogenesis of the sporadic form of Parkinson's disease. Clinical studies by the Parkinson's Study Group show that very high doses of an antioxidant called Coenzyme Q (which Mitoquinone effectively targets into mitochondria) appear to slow the progression of Parkinson's disease symptoms.

Accession Number
DBSALT003175
Structure
Synonyms
Mitoquinone methanesulfonate
UNII
6E01CG547T
CAS Number
845959-50-4
Weight
Average: 678.82
Monoisotopic: 678.278012025
Chemical Formula
C38H47O7PS
InChI Key
GVZFUVXPTPGOQT-UHFFFAOYSA-M
InChI
InChI=1S/C37H44O4P.CH4O3S/c1-29-33(35(39)37(41-3)36(40-2)34(29)38)27-19-8-6-4-5-7-9-20-28-42(30-21-13-10-14-22-30,31-23-15-11-16-24-31)32-25-17-12-18-26-32;1-5(2,3)4/h10-18,21-26H,4-9,19-20,27-28H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1
IUPAC Name
[10-(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decyl]triphenylphosphanium methanesulfonate
SMILES
CS([O-])(=O)=O.COC1=C(OC)C(=O)C(CCCCCCCCCC[P+](C2=CC=CC=C2)(C2=CC=CC=C2)C2=CC=CC=C2)=C(C)C1=O
ChemSpider
9563239
ChEMBL
CHEMBL4074884
Predicted Properties
PropertyValueSource
Water Solubility3.98e-06 mg/mLALOGPS
logP6.01ALOGPS
logP8.71Chemaxon
logS-8.2ALOGPS
pKa (Strongest Basic)-4.7Chemaxon
Physiological Charge1Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count0Chemaxon
Polar Surface Area52.6 Å2Chemaxon
Rotatable Bond Count16Chemaxon
Refractivity175.48 m3·mol-1Chemaxon
Polarizability67.54 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon