Home Other Building Blocks 1-ISOTHIOCYANATO-6-(METHYLSULFINYL)-HEXANE

1-ISOTHIOCYANATO-6-(METHYLSULFINYL)-HEXANE

CAS No.:
4430-35-7
Catalog Number:
AG00DF62
Molecular Formula:
C8H15NOS2
Molecular Weight:
205.3408
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1mg
≥98%
1 week
United States
$91
- +
5mg
98%
1 week
United States
$196
- +
10mg
98%
1 week
United States
$251
- +
25mg
≥98%
1 week
United States
$318
- +
50mg
98%
1 week
United States
$543
- +
100mg
98%
1 week
United States
$821
- +
Product Description
Catalog Number:
AG00DF62
Chemical Name:
1-ISOTHIOCYANATO-6-(METHYLSULFINYL)-HEXANE
CAS Number:
4430-35-7
Molecular Formula:
C8H15NOS2
Molecular Weight:
205.3408
MDL Number:
MFCD03093720
IUPAC Name:
1-isothiocyanato-6-methylsulfinylhexane
InChI:
InChI=1S/C8H15NOS2/c1-12(10)7-5-3-2-4-6-9-8-11/h2-7H2,1H3
InChI Key:
XQZVZULJKVALRI-UHFFFAOYSA-N
SMILES:
S=C=NCCCCCCS(=O)C
Properties
Complexity:
176  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.06g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.334g/mol
Monoisotopic Mass:
205.06g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
80.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Isothiocyanates from Wasabia japonica activate transient receptor potential ankyrin 1 channel. Chemical senses 20121101
Molecular Mechanisms Underlying Anti-Inflammatory Actions of 6-(Methylsulfinyl)hexyl Isothiocyanate Derived from Wasabi (Wasabia japonica). Advances in pharmacological sciences 20120101
Transthiocarbamoylation of proteins by thiolated isothiocyanates. The Journal of biological chemistry 20111209
Dynamics of Nrf2 and Keap1 in ARE-mediated NQO1 expression by wasabi 6-(methylsulfinyl)hexyl isothiocyanate. Journal of agricultural and food chemistry 20111123
Isothiocyanates reduce mercury accumulation via an Nrf2-dependent mechanism during exposure of mice to methylmercury. Environmental health perspectives 20110801
Glycogen synthase kinase-3β inhibition of 6-(methylsulfinyl)hexyl isothiocyanate derived from wasabi (Wasabia japonica Matsum). Bioscience, biotechnology, and biochemistry 20110101
Glutathione biosynthesis via activation of the nuclear factor E2-related factor 2 (Nrf2)--antioxidant-response element (ARE) pathway is essential for neuroprotective effects of sulforaphane and 6-(methylsulfinyl) hexyl isothiocyanate. Journal of pharmacological sciences 20110101
Anti-oxidant and Anti-hypercholesterolemic Activities of Wasabia japonica. Evidence-based complementary and alternative medicine : eCAM 20101201
Immunochemical detection of food-derived isothiocyanate as a lysine conjugate. Bioscience, biotechnology, and biochemistry 20100101
Anti-nitric oxide production activity of isothiocyanates correlates with their polar surface area rather than their lipophilicity. European journal of medicinal chemistry 20091201
Alkyl isothiocyanates suppress epidermal growth factor receptor kinase activity but augment tyrosine kinase activity. Cancer epidemiology 20091001
The augmenting activity of 6-(methylsulfinyl)hexyl isothiocyanate on cellular glutathione levels is less sensitive to thiol compounds than its cytotoxic activity. Bioscience, biotechnology, and biochemistry 20090601
A food-derived synergist of NGF signaling: identification of protein tyrosine phosphatase 1B as a key regulator of NGF receptor-initiated signal transduction. Journal of neurochemistry 20081201
Detection of 6-(methylsulfinyl)hexyl isothiocyanate (6-MITC) and its conjugate with N-acetyl-L-cysteine (NAC) by high performance liquid chromatograpy-atmospheric pressure chemical ionization mass spectrometry (HPLC-MS/APCI). Chemical & pharmaceutical bulletin 20080501
Effects of 6-(methylsulfinyl)hexyl isothiocyanate on cyclooxygenase-2 expression induced by lipopolysaccharide, interferon-gamma and 12-O-tetradecanoylphorbol-13-acetate. Oncology reports 20070101
Preventive effect of oral administration of 6-(methylsulfinyl)hexyl isothiocyanate derived from wasabi (Wasabia japonica Matsum) against pulmonary metastasis of B16-BL6 mouse melanoma cells. Cancer detection and prevention 20060101
Inhibition of lipopolysaccharide-induced cyclooxygenase-2 transcription by 6-(methylsulfinyl) hexyl isothiocyanate, a chemopreventive compound from Wasabia japonica (Miq.) Matsumura, in mouse macrophages. Biochemical pharmacology 20051205
6-(Methylsulfinyl)hexyl isothiocyanate suppresses inducible nitric oxide synthase expression through the inhibition of Janus kinase 2-mediated JNK pathway in lipopolysaccharide-activated murine macrophages. Biochemical pharmacology 20051015
Nrf2 as a novel molecular target for chemoprevention. Cancer letters 20050628
Effects of dietary chemopreventive phytochemicals on P-glycoprotein function. Biochemical and biophysical research communications 20050218
Selective sensitivity to wasabi-derived 6-(methylsulfinyl)hexyl isothiocyanate of human breast cancer and melanoma cell lines studied in vitro. Cancer detection and prevention 20050101
Identification of 6-methylsulfinylhexyl isothiocyanate as an apoptosis-inducing component in wasabi. Phytochemistry 20030301
Augmented gene expression of quinone reductase by 6-(methylsulfinyl)hexyl isothiocyanate through avoiding its cytotoxicity. Anticancer research 20030101
A sulforaphane analogue that potently activates the Nrf2-dependent detoxification pathway. The Journal of biological chemistry 20020201
Properties