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ERUCIN

CAS No.:
4430-36-8
Catalog Number:
AG00DFBC
Molecular Formula:
C6H11NS2
Molecular Weight:
161.2882
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
10mg
≥98%
1 week
United States
$125
- +
25mg
≥98%
1 week
United States
$193
- +
50mg
≥98%
1 week
United States
$319
- +
Product Description
Catalog Number:
AG00DFBC
Chemical Name:
ERUCIN
CAS Number:
4430-36-8
Molecular Formula:
C6H11NS2
Molecular Weight:
161.2882
IUPAC Name:
1-isothiocyanato-4-methylsulfanylbutane
InChI:
InChI=1S/C6H11NS2/c1-9-5-3-2-4-7-6-8/h2-5H2,1H3
InChI Key:
IHQDGXUYTSZGOG-UHFFFAOYSA-N
SMILES:
CSCCCCN=C=S
UNII:
CTE370DL3U
FEMA Number:
4414
Properties
Complexity:
97.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.033g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
161.281g/mol
Monoisotopic Mass:
161.033g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
Literature
Title Journal
Inhibition of bladder cancer by broccoli isothiocyanates sulforaphane and erucin: characterization, metabolism, and interconversion. Molecular nutrition & food research 20121101
The naturally occurring aliphatic isothiocyanates sulforaphane and erucin are weak agonists but potent non-competitive antagonists of the aryl hydrocarbon receptor. Archives of toxicology 20121001
Neuroprotective effects of erucin against 6-hydroxydopamine-induced oxidative damage in a dopaminergic-like neuroblastoma cell line. International journal of molecular sciences 20120101
Bioavailability and inter-conversion of sulforaphane and erucin in human subjects consuming broccoli sprouts or broccoli supplement in a cross-over study design. Pharmacological research 20111101
Comparison of isothiocyanate metabolite levels and histone deacetylase activity in human subjects consuming broccoli sprouts or broccoli supplement. Journal of agricultural and food chemistry 20111026
Induction of epoxide hydrolase and glucuronosyl transferase by isothiocyanates and intact glucosinolates in precision-cut rat liver slices: importance of side-chain substituent and chirality. Archives of toxicology 20110801
Phytochemical analysis and antimicrobial activity of Cardaria draba (L.) Desv. volatiles. Chemistry & biodiversity 20110601
Up-regulation of cytochrome P450 and phase II enzyme systems in rat precision-cut rat lung slices by the intact glucosinolates, glucoraphanin and glucoerucin. Lung cancer (Amsterdam, Netherlands) 20110301
Selective depletion of mutant p53 by cancer chemopreventive isothiocyanates and their structure-activity relationships. Journal of medicinal chemistry 20110210
Exposure to isothiocyanates suppresses urinary mutagenicity in rats treated with heterocyclic amine IQ: lack of association with CYP1 activity. Nutrition and cancer 20110101
Intact glucosinolates modulate hepatic cytochrome P450 and phase II conjugation activities and may contribute directly to the chemopreventive activity of cruciferous vegetables. Toxicology 20101109
Comparison of the apoptosis-inducing capability of sulforaphane analogues in human colon cancer cells. Anticancer research 20100901
Biological profile of erucin: a new promising anticancer agent from cruciferous vegetables. Toxins 20100401
Enhancement of arsenic trioxide cytotoxicity by dietary isothiocyanates in human leukemic cells via a reactive oxygen species-dependent mechanism. Leukemia research 20100201
Mustard oil in 'Shibori Daikon' a variety of Japanese radish, selectively inhibits the proliferation of H-ras-transformed 3Y1 cells. Bioscience, biotechnology, and biochemistry 20091001
Erucin, a new promising cancer chemopreventive agent from rocket salads, shows anti-proliferative activity on human lung carcinoma A549 cells. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20090701
The aliphatic isothiocyanates erucin and sulforaphane do not effectively up-regulate NAD(P)H:quinone oxidoreductase (NQO1) in human liver compared with rat. Molecular nutrition & food research 20090701
Potency of isothiocyanates to induce luciferase reporter gene expression via the electrophile-responsive element from murine glutathione S-transferase Ya. Toxicology in vitro : an international journal published in association with BIBRA 20090601
MTBITC mediates cell cycle arrest and apoptosis induction in human HepG2 cells despite its rapid degradation kinetics in the in vitro model. Environmental and molecular mutagenesis 20090401
Modulation of rat pulmonary carcinogen-metabolising enzyme systems by the isothiocyanates erucin and sulforaphane. Chemico-biological interactions 20090127
Potential skin antiinflammatory effects of 4-methylthiobutylisothiocyanate (MTBI) isolated from rocket (Eruca sativa) seeds. BioFactors (Oxford, England) 20090101
Up-regulation of the CYP1 family in rat and human liver by the aliphatic isothiocyanates erucin and sulforaphane. Toxicology 20081030
Modulation of rat hepatic and pulmonary cytochromes P450 and phase II enzyme systems by erucin, an isothiocyanate structurally related to sulforaphane. Journal of agricultural and food chemistry 20080910
Antigenotoxic properties of Eruca sativa (rocket plant), erucin and erysolin in human hepatoma (HepG2) cells towards benzo(a)pyrene and their mode of action. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20080701
Sulforaphane and erucin increase MRP1 and MRP2 in human carcinoma cell lines. The Journal of nutritional biochemistry 20080401
Role of PI3K/Akt and MEK/ERK signaling pathways in sulforaphane- and erucin-induced phase II enzymes and MRP2 transcription, G2/M arrest and cell death in Caco-2 cells. Biochemical pharmacology 20050601
Micronucleus formation and induction of apoptosis by different isothiocyanates and a mixture of isothiocyanates in human lymphocyte cultures. Mutation research 20050404
Sulforaphane, erucin, and iberin up-regulate thioredoxin reductase 1 expression in human MCF-7 cells. Journal of agricultural and food chemistry 20050309
Isothiocyanates as novel cytotoxic and cytostatic agents: molecular pathway on human transformed and non-transformed cells. Biochemical pharmacology 20040915
The new isothiocyanate 4-(methylthio)butylisothiocyanate selectively affects cell-cycle progression and apoptosis induction of human leukemia cells. Investigational new drugs 20040401
Aroma compound analysis of Eruca sativa (Brassicaceae) SPME headspace leaf samples using GC, GC-MS, and olfactometry. Journal of agricultural and food chemistry 20020731
Monitoring of isothiocyanates emanating from Arabidopsis thaliana upon paraquat spraying. Journal of chromatography. A 20010330
A major inducer of anticarcinogenic protective enzymes from broccoli: isolation and elucidation of structure. Proceedings of the National Academy of Sciences of the United States of America 19920315
Properties