Home Other Building Blocks Benzene,(6-isothiocyanatohexyl)-

Benzene,(6-isothiocyanatohexyl)-

CAS No.:
133920-06-6
Catalog Number:
AG008078
Molecular Formula:
C13H17NS
Molecular Weight:
219.3458
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Product Description
Catalog Number:
AG008078
Chemical Name:
Benzene,(6-isothiocyanatohexyl)-
CAS Number:
133920-06-6
Molecular Formula:
C13H17NS
Molecular Weight:
219.3458
MDL Number:
MFCD02752403
IUPAC Name:
6-isothiocyanatohexylbenzene
InChI:
InChI=1S/C13H17NS/c15-12-14-11-7-2-1-4-8-13-9-5-3-6-10-13/h3,5-6,9-10H,1-2,4,7-8,11H2
InChI Key:
VJNWEQGIPZMBMA-UHFFFAOYSA-N
SMILES:
S=C=NCCCCCCc1ccccc1
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.108g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
219.346g/mol
Monoisotopic Mass:
219.108g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4  
Literature
Title Journal
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Antileukemic activity of the leaf extract of Bischofia javanica blume on human leukemic cell lines. Indian journal of pharmacology 20110401
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Phytochemicals in cancer prevention and therapy: truth or dare? Toxins 20100401
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Deficient histone acetylation in acute leukemia and the correction by an isothiocyanate. Acta haematologica 20100101
Reactivating aberrantly hypermethylated p15 gene in leukemic T cells by a phenylhexyl isothiocyanate mediated inter-active mechanism on DNA and chromatin. Journal of hematology & oncology 20100101
Regulation of Caspase-3 and Bcl-2 Expression in Dalton's Lymphoma Ascites Cells by Abrin. Evidence-based complementary and alternative medicine : eCAM 20090601
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[Phenylhexyl isothiocyanate induces gene p15 demethylation by down-regulating DNA methyltransferases in Molt-4 cells]. Yao xue xue bao = Acta pharmaceutica Sinica 20090401
New clinical developments in histone deacetylase inhibitors for epigenetic therapy of cancer. Journal of hematology & oncology 20090101
[Phenylhexyl isothiocyanate reducing U266 cell line methylation level of p16 gene]. Zhongguo shi yan xue ye xue za zhi 20081001
[Effect of phenylhexyl isothiocyanate on inducing apoptosis of multiple myeloma cells in vitro]. Zhongguo shi yan xue ye xue za zhi 20080201
Phenylhexyl isothiocyanate has dual function as histone deacetylase inhibitor and hypomethylating agent and can inhibit myeloma cell growth by targeting critical pathways. Journal of hematology & oncology 20080101
Effects of eleven isothiocyanates on P450 2A6- and 2A13-catalyzed coumarin 7-hydroxylation. Chemical research in toxicology 20070901
[Experiment study of PHI on histone methylation and acetylation in Molt-4 cells]. Zhonghua xue ye xue za zhi = Zhonghua xueyexue zazhi 20070901
The phenylhexyl isothiocyanate induces apoptosis and inhibits leukemia cell growth in vivo. Oncology reports 20061201
Phenylhexyl isothiocyanate inhibits histone deacetylases and remodels chromatins to induce growth arrest in human leukemia cells. International journal of oncology 20060501
Epigenetic mechanism of growth inhibition induced by phenylhexyl isothiocyanate in prostate cancer cells. Anticancer research 20060101
Comparison of phenethyl and 6-phenylhexyl isothiocyanate-induced toxicity in rat esophageal cell lines with and without glutathione depletion. Toxicology letters 20050315
Inhibitory effects of 2-mercaptoethane sulfonate and 6-phenylhexyl isothiocyanate on urinary bladder tumorigenesis in rats induced by N-butyl-N-(4-hydroxybutyl)nitrosamine. Cancer letters 20030410
Effect of organic isothiocyanates on the P-glycoprotein- and MRP1-mediated transport of daunomycin and vinblastine. Pharmaceutical research 20021001
Decomposition rates of isothiocyanate conjugates determine their activity as inhibitors of cytochrome p450 enzymes. Chemical research in toxicology 20010901
Investigation of the enhancement of N-nitrosomethylbenzylamine-induced esophageal tumorigenesis by 6-phenylhexyl isothiocyanate. Cancer letters 20010110
Metabolism of N-nitrosobenzylmethylamine by human cytochrome P-450 enzymes. Journal of toxicology and environmental health. Part A 19991210
Chemopreventive isothiocyanates induce apoptosis and caspase-3-like protease activity. Cancer research 19980201
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