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Mitoquinone (mesylate) (Standard)

CAT: 0804-HY-100116ARSize: 1 EachDry Ice: NoHazardous: No
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Description
Mitoquinone (mesylate) (Standard) is the analytical standard of Mitoquinone (mesylate). This product is intended for research and analytical applications. Mitoquinone mesylate is a TPP-based, mitochondrially targeted antioxidant in order to protect against oxidative damage[1].
CAS Number
845959-50-4
Target
Reactive Oxygen Species (ROS) ; Reference Standards
Related Pathways
Immunology/Inflammation; Metabolic Enzyme/Protease; NF-κB; Others
Field of Research
Metabolic Disease; Cancer
Smiles
[O-]S(=O)(C)=O.O=C(C(CCCCCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)=C4C)C(OC)=C(OC)C4=O
Molecular Formula
C38H47O7PS
Molecular Weight
678.81
References & Citations
[1]Mitchell T, et al. The mitochondria-targeted antioxidant mitoquinone protects against cold storage injury of renaltubular cells and rat kidneys. J Pharmacol Exp Ther. 2011 Mar;336 (3) :682-92.|[2]Huang W, et al. Effects of the mitochondria-targeted antioxidant mitoquinone in murine acute pancreatitis. Mediators Inflamm. 2015;2015:901780.
Shipping Conditions
Room temperature
Scientific Category
Reference Standards

Chemical Information

Mitoquinone mesylate

Mitoquinone mesylate is an organic molecular entity. It has a role as an antioxidant.

CAS Number845959-50-4
PubChem CID11388331
IUPAC Name10-(4,5-dimethoxy-2-methyl-3,6-dioxocyclohexa-1,4-dien-1-yl)decyl-triphenylphosphanium;methanesulfonate
Molecular FormulaC38H47O7PS
Molecular Weight678.8
Topological Polar Surface Area118
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count16
Heavy Atom Count47
Formal Charge0
Complexity965
SMILES
CC1=C(C(=O)C(=C(C1=O)OC)OC)CCCCCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.CS(=O)(=O)[O-]
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
InChIKey
GVZFUVXPTPGOQT-UHFFFAOYSA-M
Chemical Structure
2D Structure
2D structure of Mitoquinone mesylate
CAS: 845959-50-4
CID: 11388331
Formula: C38H47O7PS
MW: 678.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight678.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count16
Exact Mass678.27801201
Monoisotopic Mass678.27801201
Topological Polar Surface Area118 Ų
Heavy Atom Count47
Formal Charge0
Complexity965
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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