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SML3844

Sigma-Aldrich

Iberin

≥97% (NMR)

Synonym(s):

1-Isothiocyanato-3-(methylsulfinyl)propane, 3-Methylsulfinylpropyl isothiocyanate, NSC 321801

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5 MG
€115.00
25 MG
€463.00

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5 MG
€115.00
25 MG
€463.00

About This Item

Empirical Formula (Hill Notation):
C5H9NOS2
CAS Number:
505-44-2
Molecular Weight:
163.26
MDL number:
MFCD25977777
UNSPSC Code:
51111800
UNSPSC Code:
12352200
NACRES:
NA.77

€115.00

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Request a Bulk Order

Quality Level

100

Assay

≥97% (NMR)

form

liquid

color

colorless to yellow

storage temp.

-10 to -25°C

SMILES string

[S](=O)(CCCN=C=S)C

InChI key

LELAOEBVZLPXAZ-UHFFFAOYSA-N

Biochem/physiol Actions

Iberin is a natural isothiocyanates from cruciferous vegetables (cabbage, red cabbage, horseradish) that potently inhibits toll-like receptors (TLRs) signaling. Iberin covalently binds to TLR4 and TLR2, which inhibits TLR dimerization. Iberin exhibits potent antioxidant, anticancer, and antimicrobial activities. It is quorum-sensing inhibitor (QSI) of the bacterial pathogen Pseudomonas aeruginosa through downregulation of the Gac/Rsm QS network.
Inhibits toll-like receptors (TLRs); natural isothiocyanates from cruciferous vegetables

Pictograms

Skull and crossbonesEnvironment
GHS06,GHS09

Signal Word

Danger

Hazard Classifications

Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

Target Organs

Respiratory system

Storage Class Code

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
0000265356
0000265356

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Composition of the Gut Microbiome Influences Production of Sulforaphane-Nitrile and Iberin-Nitrile from Glucosinolates in Broccoli Sprouts
Nutrients, 13(9), 3013-3013 (2021)
Mi-Ok Ko et al.
Journal of microbiology and biotechnology, 26(12), 2036-2042 (2016-09-03)
We evaluated the potentials of 10 isothiocyanates (ITCs) from cruciferous vegetables and radish root hydrolysate for inhibiting the growth of oral pathogens, with an emphasis on assessing any structure-function relationship. Structural differences in ITCs impacted their antimicrobial activities against oral
Comparative systems biology analysis to study the mode of action of the isothiocyanate compound Iberin on Pseudomonas aeruginosa
Antimicrobial Agents and Chemotherapy, 58(11), 6648-6659 (2014)

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