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Benzyl selenocyanate

Names

[ CAS No. ]:
4671-93-6

[ Name ]:
Benzyl selenocyanate

[Synonym ]:
Selenocyansaeure-benzylester
Benzylselenocyanat
C8H7NSe
benzylselenocyanate
phenylmethaneselenenyl cyanide
Selenocyanic acid,benzyl ester

Biological Activity

[Description]:

Benzyl selenocyanate is a chemopreventive agent for various chemically induced tumors in animal models at both the initiation and postinitiation stages. Benzyl selenocyanate is an inhibitor of DNA (cytosine-5)-methyltransferase (Mtase), with an with an IC50 of 8.4 µM[1].

[Related Catalog]:

Research Areas >> Cancer
Signaling Pathways >> Epigenetics >> DNA Methyltransferase

[Target]

Mtase[1]


[In Vitro]

Benzyl selenocyanate inhibits the activity of DNA (cytosine-5)-methyltransferase (Mtase) in a concentration-dependent manner[1].

[References]

[1]. E S Fiala, er al. Inhibition of DNA cytosine methyltransferase by chemopreventive selenium compounds, determined by an improved assay for DNA cytosine methyltransferase and DNA cytosine methylation. Carcinogenesis. 1998 Apr;19(4):597-604.

Chemical & Physical Properties

[ Boiling Point ]:
276.7ºC at 760 mmHg

[ Molecular Formula ]:
C8H7NSe

[ Molecular Weight ]:
196.10800

[ Flash Point ]:
121.2ºC

[ Exact Mass ]:
196.97400

[ PSA ]:
23.79000

[ LogP ]:
1.63828

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
VT0795000
CHEMICAL NAME :
Selenocyanic acid, benzyl ester
CAS REGISTRY NUMBER :
4671-93-6
BEILSTEIN REFERENCE NO. :
1932614
LAST UPDATED :
199612
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C8-H7-N-Se
MOLECULAR WEIGHT :
196.12

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
98500 ug/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
TYPE OF TEST :
TDLo - Lowest published toxic dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
45500 ug/kg/13W-C
TOXIC EFFECTS :
Liver - changes in liver weight Nutritional and Gross Metabolic - weight loss or decreased weight gain Related to Chronic Data - changes in testicular weight

MUTATION DATA

TYPE OF TEST :
Sister chromatid exchange
TEST SYSTEM :
Human Lymphocyte
DOSE/DURATION :
227 nmol/L
REFERENCE :
MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 232,227,1990

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Related Compounds