Products for Research Use Only
RegisterLogin

Docebenone

CAT: 0804-HY-12886-04Size: 25 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0804-HY-12886-04Size:25 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
Description
Docebenone (AA 861) is a potent, selective and orally active 5-LO (5-lipoxygenase) inhibitor.
CAS Number
80809-81-0
Product Name Alternative
AA 861
UNSPSC
12352211
Hazard Statement
H315, H319, H335
Target
Ferroptosis; Lipoxygenase
Type
Reference compound
Related Pathways
Apoptosis; Metabolic Enzyme/Protease
Applications
COVID-19-immunoregulation
Field of Research
Inflammation/Immunology
Assay Protocol
https://www.medchemexpress.com/Docebenone.html
Concentration
10mM
Purity
99.02
Solubility
DMSO : 250 mg/mL (ultrasonic)
Smiles
O=C1C(CCCCC#CCCCC#CCO)=C(C)C(C(C)=C1C)=O
Molecular Formula
C21H26O3
Molecular Weight
326.43
Precautions
H315, H319, H335
References & Citations
[1]Nam YH, et al. Leukotriene B (4) receptors BLT1 and BLT2 are involved in interleukin-8 production in human neutrophils induced by Trichomonas vaginalis-derived secretory products. Inflamm Res. 2012 Feb;61 (2) :97-102.|[2]Huang JK, et al. AA-861-induced Ca (2+) mobilization in Madin Darby canine kidney cells. Toxicol Appl Pharmacol. 1999 Dec 1;161 (2) :202-8.|[3]Kiriyama M, et al. Protective effect of AA-861 (5-lipoxygenase inhibitor) on experimental acute necrotizing pancreatitis in rats. Int J Pancreatol. 1993 Jun;13 (3) :201-8.|[4]Yamamura H, et al. Effect of AA-861, a selective 5-lipoxygenase inhibitor, on models of allergy in several species. Jpn J Pharmacol. 1988 Jul;47 (3) :261-71.
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
5-LOX

Chemical Information

Docebenone

Docebenone is a member of the class of benzoquinones that is p-benzoquinone in which the hydrogens are substituted by three methyl groups and a 12-hydroxydodeca-5,10-diyn-1-yl group. It has a role as a ferroptosis inhibitor and an EC 1.13.11.34 (arachidonate 5-lipoxygenase) inhibitor. It is a member of 1,4-benzoquinones, a primary alcohol and an acetylenic compound.

CAS Number80809-81-0
PubChem CID1967
IUPAC Name2-(12-hydroxydodeca-5,10-diynyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
Molecular FormulaC21H26O3
Molecular Weight326.4
XLogP3.9
Topological Polar Surface Area54.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity692
SMILES
CC1=C(C(=O)C(=C(C1=O)C)CCCCC#CCCCC#CCO)C
InChI
InChI=1S/C21H26O3/c1-16-17(2)21(24)19(18(3)20(16)23)14-12-10-8-6-4-5-7-9-11-13-15-22/h22H,5,7-10,12,14-15H2,1-3H3
InChIKey
WDEABJKSGGRCQA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Docebenone
CAS: 80809-81-0
CID: 1967
Formula: C21H26O3
MW: 326.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight326.4
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass326.18819469
Monoisotopic Mass326.18819469
Topological Polar Surface Area54.4 Ų
Heavy Atom Count24
Formal Charge0
Complexity692
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
C04434-1mgDocebenone
A21493-100Docebenone 100mg
A21493-50Docebenone 50mg
A21493-10Docebenone 10mg
A21493-5Docebenone 5mg
A21493-1Docebenone 1mg
A21493-25Docebenone 25mg
A21493-10mM-DDocebenone 10mM * 1mL in DMSO

Popular Products