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Ethoxyquin

CAT: 0804-HY-B1425-02Size: 5 gDry Ice: NoHazardous: No
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CAT#:0804-HY-B1425-02Size:5 g
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Description
Ethoxyquin is an antioxidant which has been used in animal feed for many years and also an inhibitor of heat shock protein 90 (Hsp90) .
CAS Number
91-53-2
UNSPSC
12352005
Hazard Statement
H302, H401
Target
HSP; Reactive Oxygen Species (ROS)
Type
Reference compound
Related Pathways
Cell Cycle/DNA Damage; Immunology/Inflammation; Metabolic Enzyme/Protease; NF-κB
Applications
Cancer-programmed cell death
Field of Research
Cancer
Assay Protocol
https://www.medchemexpress.com/Ethoxyquin.html
Purity
98.76
Solubility
DMSO : ≥ 50 mg/mL|H2O : < 0.1 mg/mL (ultrasonic)
Smiles
CC1=CC(C)(C)NC2=C1C=C(OCC)C=C2
Molecular Formula
C14H19NO
Molecular Weight
217.31
Precautions
H302, H401
References & Citations
[1]Sadikot T, et al. Development of a high-throughput screening cancer cell-based luciferase refolding assay for identifying Hsp90 inhibitors. Assay Drug Dev Technol. 2013 Oct;11 (8) :478-88.|[2]Zhu J, et al. Ethoxyquin prevents chemotherapy-induced neurotoxicity via Hsp90 modulation. Ann Neurol. 2013 Dec;74 (6) :893-904.|[3]Zhu J, et al. Ethoxyquin provides neuroprotection against cisplatin-induced neurotoxicity. Sci Rep. 2016 Jun 28;6:28861.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Reference compound1
Clinical Information
No Development Reported
Isoform
HSP90

Chemical Information

Ethoxyquin

Ethoxyquin is a quinoline that is 1,2-dihydroquinoline bearing three methyl substituents at position 2, 2 and 4 as well as an ethoxy substituent at position 6. It has a role as a geroprotector, a herbicide, a genotoxin, a neuroprotective agent, a Hsp90 inhibitor, an UDP-glucuronosyltransferase activator, a food antioxidant and an antifungal agrochemical. It is a member of quinolines and an aromatic ether.

CAS Number91-53-2
PubChem CID3293
IUPAC Name6-ethoxy-2,2,4-trimethyl-1H-quinoline
Molecular FormulaC14H19NO
Molecular Weight217.31
XLogP3.1
Topological Polar Surface Area21.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count16
Formal Charge0
Complexity282
SMILES
CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C
InChI
InChI=1S/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3
InChIKey
DECIPOUIJURFOJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Ethoxyquin
CAS: 91-53-2
CID: 3293
Formula: C14H19NO
MW: 217.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight217.31
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass217.146664230
Monoisotopic Mass217.146664230
Topological Polar Surface Area21.3 Ų
Heavy Atom Count16
Formal Charge0
Complexity282
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3606568-01Ethoxyquin
MBS6024191-01Ethoxyquin Dimer

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