Trichothec-9-en-8-one,3-(acetyloxy)-12,13-epoxy-7,15-dihydroxy-, (3a,7a)-

Names

[ Name ]:
Trichothec-9-en-8-one,3-(acetyloxy)-12,13-epoxy-7,15-dihydroxy-, (3a,7a)-

[Synonym ]:
MFCD00135964
Trichothec-9-en-8-one, 3-acetyl-12,13-epoxy-7,15-dihydroxy-, (3β,5α,6β,7β,11β,12ξ)-
3-acetyldeoxynivalenol
(2α,3β,5α,6β,7β,11β,12ξ)-3-Acetyl-7,15-dihydroxy-12,13-epoxytrichothec-9-en-8-one

Biological Activity

[Description]:

3-Acetyldeoxynivalenol, a trichothecene mycotoxin deoxynivalenol (DON) acetylated derivative[1], is a blood-brain barrier (BBB) permeable mycotoxin[2].

[Related Catalog]:

Research Areas >> Cardiovascular Disease

Research Areas >> Others

Signaling Pathways >> Others >> Others

[References]

[1]. Kadota T, et al. Comparative study of deoxynivalenol, 3-acetyldeoxynivalenol, and 15-acetyldeoxynivalenolon intestinal transport and IL-8 secretion in the human cell line Caco-2. Toxicol In Vitro. 2013 Sep;27(6):1888-95.

[2]. Behrens M, et al. Blood-Brain Barrier Effects of the Fusarium Mycotoxins Deoxynivalenol, 3Acetyldeoxynivalenol, and Moniliformin and Their Transfer to the Brain. PLoS One. 2015 Nov 23;10(11):e0143640.

Chemical & Physical Properties

[ Density]:
1.4±0.1 g/cm3

[ Boiling Point ]:
529.8±50.0 °C at 760 mmHg

[ Melting Point ]:
185.75°C

[ Molecular Formula ]:
C₁₇H₂₂O₇

[ Molecular Weight ]:
322.353

[ Flash Point ]:
195.2±23.6 °C

[ Exact Mass ]:
322.141632

[ PSA ]:
96.36000

[ LogP ]:
-0.85

[ Vapour Pressure ]:
0.0±3.2 mmHg at 25°C

[ Index of Refraction ]:
1.598

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: YD0150000

CHEMICAL NAME :: Trichothec-9-en-8-one, 3-(acetyloxy)-7,15-dihydroxy-, (3-alpha,7-alpha)-

CAS REGISTRY NUMBER :: 50722-38-8

LAST UPDATED :: 198910

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C17-H22-O7

MOLECULAR WEIGHT :: 338.39

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - guinea pig

REFERENCE :: FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 4,S124,1984 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 34 mg/kg

TOXIC EFFECTS :: Gastrointestinal - ulceration or bleeding from small intestine Gastrointestinal - hypermotility, diarrhea

REFERENCE :: FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 4,S124,1984

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 47 mg/kg

TOXIC EFFECTS :: Gastrointestinal - ulceration or bleeding from small intestine

REFERENCE :: SKEZAP Shokuhin Eiseigaku Zasshi. Food Hygiene Journal. (Nippon Shokuhin Eisei Gakkai c/o Shokuhin Eisei Senta, 2-6-1 Jingumae, Shibuya-ku, Tokyo 150, Japan) V.1- 1960- Volume(issue)/page/year: 15,261,1974

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Subcutaneous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 59 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: TOXIA6 Toxicon. (Pergamon Press Ltd., Headington Hill Hall, Oxford OX3 OBW, UK) V.1- 1962- Volume(issue)/page/year: 24,985,1986

Safety Information

[ Symbol ]:

GHS06

[ Signal Word ]:
Danger

[ Hazard Statements ]:
H300-H311-H331

[ Precautionary Statements ]:
P261-P264-P280-P301 + P310-P311

[ Personal Protective Equipment ]:
Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges

[ Hazard Codes ]:
T: Toxic;F: Flammable;Xn: Harmful;

[ Risk Phrases ]:
R23/24/25

[ Safety Phrases ]:
S45;S36/S37

[ RIDADR ]:
UN 2811 6.1/PG 2

[ WGK Germany ]:
3

[ RTECS ]:
YD0150000

[ Packaging Group ]:
I

[ Hazard Class ]:
6.1(a)

Precursor & DownStream

Precursor

DownStream

Articles

Development and validation of a high performance liquid chromatographic-mass spectrometry method for the simultaneous quantification of 10 trichothecenes in ultra-high temperature processed cow milk.

J. Chromatogr. A. 1419 , 37-44, (2015)

An LC-MS/MS (QqQ) method has been developed and validated for simultaneous determination of the following trichothecenes in UHT cow milk: nivalenol (NIV), deoxynivalenol (DON), deepoxy-deoxynivalenol ...

Preliminary estimation of deoxynivalenol excretion through a 24 h pilot study.

Toxins (Basel.) 7 , 705-18, (2015)

A duplicate diet study was designed to explore the occurrence of 15 Fusarium mycotoxins in the 24 h-diet consumed by one volunteer as well as the levels of mycotoxins in his 24 h-collected urine. The ...

Innate Immune Sensing of Fusarium culmorum by Mouse Dendritic Cells.

J. Toxicol. Environ. Health A 78 , 871-85, (2015)

Chronic inhalation of grain dust is associated with asthma and chronic bronchitis in grain worker populations. Exposure to fungal particles was postulated to be an important etiologic agent of these p...