Benzyl selenocyanate

Modify Date: 2024-01-11 18:54:24

Benzyl selenocyanate Structure
Benzyl selenocyanate structure
Common Name Benzyl selenocyanate
CAS Number 4671-93-6 Molecular Weight 196.10800
Density N/A Boiling Point 276.7ºC at 760 mmHg
Molecular Formula C8H7NSe Melting Point N/A
MSDS N/A Flash Point 121.2ºC

 Use of Benzyl selenocyanate


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].

 Names

Name benzyl selenocyanate
Synonym More Synonyms

 Benzyl selenocyanate 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
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

~99%

Benzyl selenocyanate Structure

Benzyl selenocyanate

CAS#:4671-93-6

Literature: Clarembeau, M.; Cravador, A.; Dumont, W.; Hevesi, L; Krief, A.; et al. Tetrahedron, 1985 , vol. 41, # 21 p. 4793 - 4812

~84%

Benzyl selenocyanate Structure

Benzyl selenocyanate

CAS#:4671-93-6

Literature: Otsubo, Tetsuo; Ogura, Fumio; Yamaguchi, Hachiro Synthetic Communications, 1980 , vol. 10, # 8 p. 595 - 602

~49%

Benzyl selenocyanate Structure

Benzyl selenocyanate

CAS#:4671-93-6

Literature: Degrand, Chantal; Prest, Rita; Nour, Mohamed Phosphorus and Sulfur and the Related Elements, 1988 , vol. 38, p. 201 - 210

~%

Benzyl selenocyanate Structure

Benzyl selenocyanate

CAS#:4671-93-6

Literature: Tamagaki,S. et al. Bulletin of the Chemical Society of Japan, 1978 , vol. 51, p. 333 - 334

~%

Benzyl selenocyanate Structure

Benzyl selenocyanate

CAS#:4671-93-6

Literature: Degrand, Chantal; Prest, Rita; Nour, Mohamed Phosphorus and Sulfur and the Related Elements, 1988 , vol. 38, p. 201 - 210

~%

Benzyl selenocyanate Structure

Benzyl selenocyanate

CAS#:4671-93-6

Literature: Tamagaki,S. et al. Bulletin of the Chemical Society of Japan, 1977 , vol. 50, # 6 p. 1641 - 1642

~%

Benzyl selenocyanate Structure

Benzyl selenocyanate

CAS#:4671-93-6

Literature: Uemura,S. et al. Bulletin of the Chemical Society of Japan, 1978 , vol. 51, p. 1818 - 1820

 Synonyms

Selenocyansaeure-benzylester
Benzylselenocyanat
C8H7NSe
benzylselenocyanate
phenylmethaneselenenyl cyanide
Selenocyanic acid,benzyl ester
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