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BERTEROIN

CAS No.
4430-42-6
Chemical Name:
BERTEROIN
Synonyms
KB47947;LP088984;KB-47947;LP-088984;BERTEROIN;OR-009512;1-isothiocyanato-5-(methylthio)pentane;5-(methylsulfanyl)pentyl isothiocyanate;1-isothiocyanato-5-methylsulfanylpentane;1-isothiocyanato-5-methylsulfanyl-pentane
CBNumber:
CB6445272
Molecular Formula:
C7H13NS2
Molecular Weight:
175.31
MDL Number:
MFCD00210791
MOL File:
4430-42-6.mol
MSDS File:
SDS
TDS File:
TDS
Last updated:2026-08-25 20:17:46

BERTEROIN Properties

Melting point 155~156℃
Boiling point 155 °C(Press: 10 Torr)
Density 1.01±0.1 g/cm3(Predicted)
FEMA 4416 | 5-(METHYLTHIO)PENTYL ISOTHIOCYANATE
storage temp. Store at -20°C
solubility DMF: 3 mg/ml; DMSO: 16 mg/ml; Ethanol: 20 mg/ml; PBS (pH 7.2): 10 mg/ml
Odor at 0.01 % in propylene glycol. cabbage radish
Odor Type radish
JECFA Number 1896
LogP 2.67
Substances Added to Food (formerly EAFUS) 5-(METHYLTHIO)PENTYL ISOTHIOCYANATE
FDA UNII 0L0K74BW6T

SAFETY

Risk and Safety Statements

Symbol(GHS)  Flame (GHS02)Exclamation Mark (GHS07)
GHS02,GHS07
Signal word  Danger
Hazard statements  H225-H319
Precautionary statements  P210-P233-P240-P241-P242-P243-P264-P280-P303+P361+P353-P305+P351+P338-P337+P313-P370+P378-P403+P235-P501
NFPA 704
3
2 0

BERTEROIN price More Price(11)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Cayman Chemical 17880 Berteroin ≥95% 4430-42-6 5mg $41 2026-04-30 Buy
Cayman Chemical 17880 Berteroin ≥95% 4430-42-6 10mg $72 2026-04-30 Buy
Cayman Chemical 17880 Berteroin ≥95% 4430-42-6 25mg $157 2026-04-30 Buy
Cayman Chemical 17880 Berteroin ≥95% 4430-42-6 50mg $274 2026-04-30 Buy
ChemScene CS-0079418 Berteroin 4430-42-6 5mg $93 2026-06-04 Buy
Product number Packaging Price Buy
17880 5mg $41 Buy
17880 10mg $72 Buy
17880 25mg $157 Buy
17880 50mg $274 Buy
CS-0079418 5mg $93 Buy

BERTEROIN Chemical Properties, Uses, Production

Description

Berteroin is a sulforaphane analog found in cruciferous vegetables including Chinese cabbage, rucola salad leaves, and mustard oil. At 1.7 μM, it has been shown to double the phase II enzyme quinone reductase activity in mouse hepatoma cells. Berteroin exerts anti-inflammatory activity in LPS-stimulated RAW 264.7 macrophages, inhibiting degradation of IκBα, as well as NF-κB p65 translocation to the nucleus and DNA binding activity. It also suppresses IRAK degradation and phosphorylation of TAK1, p38 MAPK, ERK1/2, and Akt.

Chemical Properties

Pale yellow liquid; penetrating radish-like aroma

Occurrence

Reported found in radish and horseradish.

Uses

Berteroin is a compound with high odor potency occurring in horseradish ( Armoracia rusticana)

Definition

ChEBI: Berteroin is an isothiocyanate.

Aroma threshold values

High strength odor; recommend smelling in a 0.01% solution or less.

Enzyme inhibitor

This sulforaphane analogue and antimetastatic agent (FW = 175.43 g/mol; CAS 4430-42-6; Physical State = Liquid; Soluble in ethanol, DMSO, and chloroform; Store at -20° C; M.P. = 155-156° C), also named 5- methylthiopentyl isothiocyanate, is found in cruciferous vegetables (including Chinese cabbage and rucola leaves) and mustard oil. Berteroin inhibits LPS-induced degradation of Inhibitor of κBα (or IκBα) as well as NF-κB p65 translocation into the nucleus and DNA binding. Berteroin also suppresses degradation of IL-1 Receptor Associated Kinase and phosphorylation of Transforming Growth Factor β-Activated Kinase-1. Berteroin also inhibits LPS-induced phosphorylation of p38 MAPK, ERK1/2, and AKT

References

[1] YOO JIN JUNG. Berteroin present in cruciferous vegetables exerts potent anti-inflammatory properties in murine macrophages and mouse skin.[J]. International Journal of Molecular Sciences, 2014, 15 11: 20686-20705. DOI: 10.3390/ijms151120686
[2] Y ZHANG. A major inducer of anticarcinogenic protective enzymes from broccoli: isolation and elucidation of structure.[J]. Proceedings of the National Academy of Sciences of the United States of America, 1992, 89 6: 2399-2403. DOI: 10.1073/pnas.89.6.2399

5414-21-1
4430-42-6
Synthesis of BERTEROIN from 5-Bromovaleronitrile

BERTEROIN Suppliers

Global Suppliers ( 50)
Supplier Tel Email Country ProdList Advantage
Shanghai Hongye Biotechnology Co. Ltd 400-9205774 400-920-5774 sales@glpbio.cn China 6705 58
Shanghai wencai New Material Technology Co., Ltd. 15721586846 wencaimat@163.com China 2792 58
TargetMol Chemicals Inc. +1-781-999-5354; +1-00000000000 marketing@targetmol.com United States 32431 58
ChemeGen(Shanghai) Biotechnology Co.,Ltd. 18818260767 sales@chemegen.com China 11123 58
MedBioPharmaceutical Technology Inc 021-69568360 18916172912 order@med-bio.cn China 8137 58
Energy Chemical 021-58432009 400-005-6266 marketing@energy-chemical.com China 44871 58
TargetMol Chemicals Inc. 4008200310 15002144251 marketing@tsbiochem.com China 24951 58
Shanghai Yiyan Biotechnology Co. , Ltd. 021-69985186 13611928337 3427709316@qq.com China 7982 58
Shanghai Yifei Biotechnology Co. , Ltd. 021-65675885 18964387627 customer_service@efebio.com China 11963 58
Jiangsu Aikon Biopharmaceutical R&D Co.,Ltd. 025-66061636 19370895928 qqyang@aikonchem.com China 9995 58

View Latest Price from BERTEROIN manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
Berteroin pictures 2026-05-11 Berteroin
4430-42-6
$236.00-885.00 10g TargetMol Chemicals Inc.
  • Berteroin pictures
  • Berteroin
    4430-42-6
  • $236.00-885.00
  • TargetMol Chemicals Inc.
5-(methylsulfanyl)pentyl isothiocyanate 1-isothiocyanato-5-(methylthio)pentane 1-isothiocyanato-5-methylsulfanylpentane 1-isothiocyanato-5-methylsulfanyl-pentane BERTEROIN berteroin,1-isothiocyanato-5-(methylthio)-pentane,5-methylthiopentylisothiocyanate Pentane, 1-isothiocyanato-5-(methylthio)- KB47947 KB-47947 LP088984 LP-088984 OR-009512 4430-42-6 C7H13NS2