ChemicalBook--->CAS DataBase List--->1217476-81-7

1217476-81-7

1217476-81-7 Structure

1217476-81-7 Structure
IdentificationBack Directory
[Name]

3-Acetyl-DON 13C labeled
[CAS]

1217476-81-7
[Synonyms]

3-Acetyl-DON 13C labeled
3-Acetyldeoxy Nivalenol-13C17
13C17-3-Acetyl-deoxynicalenol
3-Acetyldeoxynivalenol-13C17 solution
3-Acetyldeoxy Nivalenol-13C17 / 13C17-3-Ac-DON
[EINECS(EC#)]

808-632-6
[Molecular Formula]

13C17H22O7
[MDL Number]

MFCD11114485
[MOL File]

1217476-81-7.mol
[Molecular Weight]

355.23
Chemical PropertiesBack Directory
[density ]

1.425±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
[Fp ]

2 °C
[storage temp. ]

−20°C
[solubility ]

Acetonitrile: Soluble
[form ]

Liquid
[color ]

Colorless to light yellow
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
[Signal word ]

Danger
[Hazard statements ]

H225-H302+H312+H332-H319
[Precautionary statements ]

P210-P280-P305+P351+P338
[Hazard Codes ]

F,Xn
[Risk Statements ]

11-20/21/22-36
[Safety Statements ]

26-36/37-16
[RIDADR ]

UN 1648 3/PG 2
Hazard InformationBack Directory
[Uses]

3-Acetyldeoxynivalenol-13C17 is the 13C labeled 3-Acetyldeoxynivalenol (HY-N6685)[1]. 3-Acetyldeoxynivalenol, a trichothecene mycotoxin deoxynivalenol (DON) acetylated derivative[2], is a blood-brain barrier (BBB) permeable mycotoxin[3].
[References]

[1] Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53(2):211-220. DOI:10.1177/1071100718790255
[2] 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. DOI:10.1016/j.tiv.2013.06.003
[3] 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. DOI:10.1371/journal.pone.0143640
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