CAS 80809-81-0|AA-861

Introduction：Basic information about CAS 80809-81-0|AA-861, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. AA-861 BiologicalActivity
3. Chemical & Physical Properties
4. Safety Information
5. Customs
6. Synonyms

Common Name	AA-861
CAS Number	80809-81-0	Molecular Weight	326.42900
Density	/	Boiling Point	/
Molecular Formula	C₂₁H₂₆O₃	Melting Point	/
MSDS	/	Flash Point	/

Names

Name	docebenone
Synonym	More Synonyms

AA-861 BiologicalActivity

Description	Docebenone (AA 861) is a potent, selective and orally active 5-LO (5-lipoxygenase) inhibitor.
Related Catalog	Signaling Pathways >>Metabolic Enzyme/Protease >>5-LipoxygenaseResearch Areas >>Inflammation/Immunology
Target	5-LO[1].
In Vitro	Treatment of trichomonads with the 5-LO inhibitor Docebenone, significantly inhibits the ability of trichomonads to secrete LTB4 compared to results for trichomonads treated with medium. Docebenone strongly abolishes the stimulatory effect of TvSP on IL-8 production[1]. Docebenone at 10-200 μM increases [Ca2+]i concentration dependently[2].
In Vivo	Docebenone might protect experimental acute necrotizing pancreatitis in rats[3]. 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[4].
Animal Admin	Rats[3] Pancreatitis is induced in rats by retrograde injection of 0.4 mL/kg body wt of 6% taurocholic acid into the pancreatic duct. The animals are divided into three groups: control group; administered Docebenone in a single dose of 30 mg/kg; and administered Docebenone in a single dose of 60 mg/kg. The following parameters are examined: serum amylase, lipase, trypsin, blood sugar, and survival rate[3].
References	[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.

Chemical & Physical Properties

Molecular Formula	C₂₁H₂₆O₃
Molecular Weight	326.42900
Exact Mass	326.18800
PSA	54.37000
LogP	3.52090
InChIKey	WDEABJKSGGRCQA-UHFFFAOYSA-N
SMILES	CC1=C(C)C(=O)C(CCCCC#CCCCC#CCO)=C(C)C1=O

Safety Information

Hazard Codes	Xi
Risk Phrases	36/37/38
Safety Phrases	26-36
HS Code	2914690090

Customs

HS Code	2914690090
Summary	2914690090 other quinones。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:5.5%。General tariff:30.0%

Synonyms

Docebenona

aa-861

DOCEBENONE

Docebenonum

MFCD00210243

2-(12-hydroxydodeca-5,10-diynyl)-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione

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