Skip to Content
Merck
CN

SML3844

Iberin

≥97% (NMR)

Synonym(s):

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

Sign In to View Organizational & Contract Pricing.

Select a Size

About This Item

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

Key Documents

View All Documentation
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist
Technical Service
Need help? Our team of experienced scientists is here for you.
Let Us Assist

Product Name

Iberin, ≥97% (NMR)

SMILES string

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

InChI key

LELAOEBVZLPXAZ-UHFFFAOYSA-N

assay

≥97% (NMR)

form

liquid

color

colorless to yellow

storage temp.

-10 to -25°C

Quality Level

100

Related Categories

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

signalword

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

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

Regulatory Information

新产品
This item has

Choose from one of the most recent versions:

Certificates of Analysis (COA)

Lot/Batch Number
0000289645
0000289645
0000265356
0000265356

Don't see the Right Version?

If you require a particular version, you can look up a specific certificate by the Lot or Batch number.

Search for a COA

Already Own This Product?

Find documentation for the products that you have recently purchased in the Document Library.

Visit the Document Library

Composition of the Gut Microbiome Influences Production of Sulforaphane-Nitrile and Iberin-Nitrile from Glucosinolates in Broccoli Sprouts
Nutrients, 13(9), 3013-3013 (2021)
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)
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

Our team of scientists has experience in all areas of research including Life Science, Material Science, Chemical Synthesis, Chromatography, Analytical and many others.

Contact Technical Service