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Docebenone - 99%, high purity , CAS No.80809-81-0

COA

Grade & Purity:

≥99%

Cas Number: 80809-81-0
Molecular Weight: 326.43
EC Number: 635-956-3
PubChem CID: 1967

In stock

Item Number

D649164

Grouped product items
SKU	Size	Availability	Price
D649164-5mg	5mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$450.90
D649164-10mg	10mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$750.90
D649164-50mg	50mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,100.90
D649164-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$2,950.90

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Basic Description

Synonyms	DOCEBENONE [MART.] \| NCGC00015053-08 \| Bio2_000473 \| NCGC00015053-06 \| NCGC00024221-06 \| NCGC00015053-02 \| 2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone \| AA 861 \| DOCEBENONE [USAN] \| NCGC00015053-10 \| NCGC00015053-01 \| NCGC00024221-04
Specifications & Purity	≥99%
Biochemical and Physiological Mechanisms	Docebenone (AA 861) is a potent, selective and orally active 5-LO (5-lipoxygenase) inhibitor.
Storage Temp	Store at -20°C
Shipped In	Ice chest + Ice pads This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	Docebenone (AA 861) is a potent, selective and orally active 5-LO (5-lipoxygenase) inhibitor. In Vitro Treatment of trichomonads with the 5-LO inhibitor Docebenone, significantly inhibits the ability of trichomonads to secrete LTB 4 compared to results for trichomonads treated with medium. Docebenone strongly abolishes the stimulatory effect of TvSP on IL-8 production. Docebenone at 10-200 μM increases [Ca 2+ ] i concentration dependently. MCE has not independently confirmed the accuracy of these methods. They are for reference only. In Vivo Docebenone might protect experimental acute necrotizing pancreatitis in rats. Docebenone suppresses the release of SRS-A by 55-97%, dose-dependently in doses of 10 -8 -10 -5 M in monkeys. The antigen-induced SRS-A release from these fragments is dose dependently inhibited by 25-93% of Docebenone, with doses of 10 -8 -10 -5 M. MCE has not independently confirmed the accuracy of these methods. They are for reference only. Form:Solid IC50& Target:5-LO

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Lipids and lipid-like molecules
  - Class Fatty Acyls
    - Subclass Fatty alcohols

Kingdom	Organic compounds
Superclass	Lipids and lipid-like molecules
Class	Fatty Acyls
Subclass	Fatty alcohols
Intermediate Tree Nodes	Not available
Direct Parent	Long-chain fatty alcohols
Alternative Parents	P-benzoquinones Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic homomonocyclic compounds
Substituents	Long chain fatty alcohol - Quinone - P-benzoquinone - Cyclic ketone - Ketone - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Primary alcohol - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as long-chain fatty alcohols. These are fatty alcohols that have an aliphatic tail of 13 to 21 carbon atoms.
External Descriptors	primary alcohol - acetylenic compound - benzoquinones
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	2-(12-hydroxydodeca-5,10-diynyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
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
Smiles	CC1=C(C(=O)C(=C(C1=O)C)CCCCC#CCCCC#CCO)C
Isomeric SMILES	CC1=C(C(=O)C(=C(C1=O)C)CCCCC#CCCCC#CCO)C
Alternate CAS	80809-81-0
PubChem CID	1967
MeSH Entry Terms	2,3,5-trimethyl-6-(12-hydroxy-5,10-dodecadiynyl)-1,4-benzoquinone;AA 861;AA-861;AA861
Molecular Weight	326.43

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Solubility	DMSO : 250 mg/mL (765.86 mM; Need ultrasonic)
Molecular Weight	326.400 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	326.188 Da
Monoisotopic Mass	326.188 Da
Topological Polar Surface Area	54.400 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	692.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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