SML3844

Iberin

≥97% (NMR)

• Synonym(s): 1-Isothiocyanato-3-(methylsulfinyl)propane, 3-Methylsulfinylpropyl isothiocyanate, NSC 321801
• Empirical Formula (Hill Notation): C₅H₉NOS₂
• CAS Number: 505-44-2
• Molecular Weight: 163.26
• UNSPSC Code: 51111800
• NACRES: NA.77
• MDL number: MFCD25977777
• Assay: ≥97% (NMR)
• Form: liquid

Properties

• Quality Segment: 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

Description

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

Safety Information

• pictograms: GHS06,GHS09
• signalword: Danger
• hcodes: H301 + H311 + H331,H315,H319,H335,H410
• pcodes: P273 - P280 - P301 + P310 - P302 + P352 + P312 - P304 + P340 + P311 - P305 + P351 + P338
• 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