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505-44-2

505-44-2 Structure

505-44-2 Structure
IdentificationBack Directory
[Name]

IBERIN
[CAS]

505-44-2
[Synonyms]

IBERIN
lberin
NSC 321801
IBERIN(RG)
3-methylsulphinylpropylisothiocyanate
3-(Methylsulfinyl)propyl isothiocyanate
Methyl(3-isothiocyanatopropyl) sulfoxide
3-methylsulfinylpropylimino(thioxo)methane
1-isothiocyanato-3-(methylsulfinyl)propane
1-ISOTHIOCYANATO-3-(METHYLSULPHINYL)-PROPANE
Propane, 1-isothiocyanato-3-(methylsulfinyl)-
isothiocyanicacid,3-(methylsulfinyl)propylester
[Molecular Formula]

C5H9NOS2
[MDL Number]

MFCD01076593
[MOL File]

505-44-2.mol
[Molecular Weight]

163.26
Chemical PropertiesBack Directory
[Boiling point ]

240.37°C (rough estimate)
[density ]

1.142 (estimate)
[refractive index ]

1.5237 (estimate)
[storage temp. ]

Hygroscopic, Refrigerator, under inert atmosphere
[solubility ]

Chloroform (Slightly), Methanol (Slightly)
[form ]

Oil
[color ]

Colourless
[Stability:]

Moisture Sensitive
Safety DataBack Directory
[Symbol(GHS) ]


GHS07,GHS08,GHS05
[Signal word ]

Danger
[Hazard statements ]

H332-H334-H318-H302-H312-H315-H335
[Precautionary statements ]

P264-P270-P301+P312-P330-P501-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P305+P351+P338-P310-P261-P285-P304+P341-P342+P311-P501
Hazard InformationBack Directory
[Uses]

Iberin is a natural isothiocyanate found in cruciferous plants. Iberin is know to exhibit anticancer efficacy mediated via induction of cell cycle arrest and apoptosis in human neuroblastoma cells and has strong potential for development as a therapeutic agent against cancer.
[Definition]

ChEBI: Iberin is an isothiocyanate that is 1-isothiocyanatopropane in which a hydrogen at position 3 has been replaced by a methylsulfinyl group. A glucosinolate hydrolysis product found in many members of the Brassicaceae family, it is a quorum-sensing inhibitor (QSI) of the bacterial pathogen Pseudomonas aeruginosa. It has a role as a quorum sensing inhibitor, a plant metabolite and an apoptosis inducer. It is a sulfoxide and an isothiocyanate.
[Biological Activity]

Iberin is a natural isothiocyanates from cruciferous vegetables (cabbagered cabbagehorseradish) th at potently inhibits toll-like receptors (TLRs) signaling. Iberin covalently binds to TLR4 and TLR2which inhibits TLR dimerization. Iberin exhibits potent antioxidantanticancerand antimicrobial activities. It is quorum-sensing inhibitor (QSI) of the bacterial pathogen Pseudomonas aeruginosa through downregulation of the Gac/Rsm QS network.
[in vivo]

Iberin is tested in an in vivo foreign-body infection mouse model, and the results show no significantly difference in bacterial clearance between treated and nontreated miced[4]. Iberin increases tissue levels of the phase II detoxification enzymes quinone reductase and glutathione S-transferase in a variety of rat tissues[5].

[storage]

Store at -20°C
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