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Mito-apocynin (C11)

CAT: 0804-HY-135869-01Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-135869-01Size:5 mg
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Description
Mito-apocynin (C11), an orally active mitochondria-targeted triphenylphosphonium (TPP) -based compound, is synthesized by conjugating the Apocynin moiety with a TPP+ cation. Mito-apocynin (C11) selectively targets mitochondria, and shows neuroprotective effect. Mito-apocynin (C11) prevents hyposmia and corrects deficits in motor function[1].
CAS Number
1254044-38-6
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Mitochondrial Metabolism
Type
Reference compound
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Neurological Disease
Assay Protocol
https://www.medchemexpress.com/mito-apocynin-c11.html
Purity
99.84
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
O=C(OCCCCCCCCCCC[P+](C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(O)C(OC)=C4.[Br-]
Molecular Formula
C37H44BrO4P
Molecular Weight
663.62
Precautions
H302, H315, H319, H335
References & Citations
[1]Dranka BP, et al. A novel mitochondrially-targeted apocynin derivative prevents hyposmia and loss of motor function in the leucine-rich repeat kinase 2 (LRRK2 (R1441G) ) transgenic mouse model of Parkinson's disease. Neurosci Lett. 2014 Nov 7;583:159-64.
Shipping Conditions
Room Temperature
Storage Conditions
4°C (Powder, sealed storage, away from moisture)
Scientific Category
Reference compound1
Clinical Information
No Development Reported

Chemical Information

(11-((4-Hydroxy-3-methoxybenzoyl)oxy)undecyl)triphenylphosphonium bromide
CAS Number1254044-38-6
PubChem CID49802417
IUPAC Name11-(4-hydroxy-3-methoxybenzoyl)oxyundecyl-triphenylphosphanium bromide
Molecular FormulaC37H44BrO4P
Molecular Weight663.6
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count18
Heavy Atom Count43
Formal Charge0
Complexity680
SMILES
COC1=C(C=CC(=C1)C(=O)OCCCCCCCCCCC[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O.[Br-]
InChI
InChI=1S/C37H43O4P.BrH/c1-40-36-30-31(26-27-35(36)38)37(39)41-28-18-7-5-3-2-4-6-8-19-29-42(32-20-12-9-13-21-32,33-22-14-10-15-23-33)34-24-16-11-17-25-34;/h9-17,20-27,30H,2-8,18-19,28-29H2,1H3;1H
InChIKey
VWMXQDPFRLJGQR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (11-((4-Hydroxy-3-methoxybenzoyl)oxy)undecyl)triphenylphosphonium bromide
CAS: 1254044-38-6
CID: 49802417
Formula: C37H44BrO4P
MW: 663.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight663.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count18
Exact Mass662.21606
Monoisotopic Mass662.21606
Topological Polar Surface Area55.8 Ų
Heavy Atom Count43
Formal Charge0
Complexity680
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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