Berteroin

Base Information

Chemical Name:Berteroin
CAS No.:4430-42-6
Molecular Formula:C₇H₁₃NS₂
Molecular Weight:175.319
Hs Code.:2930909090
UNII:0L0K74BW6T
DSSTox Substance ID:DTXSID00196119
Nikkaji Number:J634.913G
Wikidata:Q27236919
Pharos Ligand ID:FSYWG3L2HCGD
Metabolomics Workbench ID:44966
ChEMBL ID:CHEMBL3593947
Mol file:4430-42-6.mol

Synonyms:5-methylthiopentyl isothiocyanate;berteroin

Suppliers and Price of Berteroin

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Berteroin
500mg
$ 790.00

Cayman Chemical
Berteroin ≥95%
25mg
$ 116.00

Cayman Chemical
Berteroin ≥95%
10mg
$ 52.00

Cayman Chemical
Berteroin ≥95%
5mg
$ 29.00

Cayman Chemical
Berteroin ≥95%
50mg
$ 203.00

American Custom Chemicals Corporation
BERTEROIN 95.00%
5MG
$ 147.40

AK Scientific
Berteroin
25mg
$ 256.00

Total 6 raw suppliers

Chemical Property of Berteroin

Chemical Property:

Vapor Pressure:0.0132mmHg at 25°C
Melting Point:155～156℃
Boiling Point:267.7°Cat760mmHg
Flash Point:115.7°C
PSA：69.75000
Density:1.01g/cm³
LogP:2.62250
XLogP3:3.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:175.04894177
Heavy Atom Count:10
Complexity:108

Purity/Quality:

98% ^*data from raw suppliers

Berteroin ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CSCCCCCN=C=S
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.
Uses Berteroin is a compound with high odor potency occurring in horseradish ( Armoracia rusticana)

Technology Process of Berteroin

There total 7 articles about Berteroin which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 75.0%

: 463-71-8
thiophosgene

: 55021-78-8
5-methylthiopentylamine

: 4430-42-6
berteroin

Guidance literature:: With sodium hydroxide; In chloroform; at 20 ℃; for 1h;
DOI:10.1021/jf1003573

Reference yield: 64.0%

: 74-93-1
methylthiol

: 18060-79-2
4-pentenyl isothiocyanate

: 4430-42-6
berteroin

Guidance literature:: With tert.-butylhydroperoxide; In methanol; at 20 ℃; for 9h;
DOI:10.1021/acs.jnatprod.5b00272

Reference yield:

: 5414-21-1
5-bromopentan-1-nitrile

: 4430-42-6
berteroin

Guidance literature:: Multi-step reaction with 3 steps

1: methanol

2: lithium alanate; diethyl ether

3: chloroform; aqueous sodium hydrogencarbonate

With methanol; lithium aluminium tetrahydride; diethyl ether; chloroform; sodium hydrogencarbonate;