Benzyl selenocyanate

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

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].

Name	benzyl selenocyanate
Synonym	More Synonyms

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.

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

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

Benzyl bromide

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Potassium selen...

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~99%

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

Potassium selen...

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Benzyl chloride

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~84%

Benzyl selenocyanate

CAS#:4671-93-6

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

Dibenzyldiselane

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Acetonitrile

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~49%

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

Dibenzylselenon...

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Benzyl selenocyanate

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

Benzyl chloride

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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

benzylseleninyl...

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Tetracyanoethylene

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Benzyl selenocyanate

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

[2-[(4-fluoroph...

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Benzyl bromide

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Benzyl selenocyanate

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

Precursor 9
CAS#:100-39-0 Benzyl bromide CAS#:3425-46-5 Potassium selen... CAS#:100-44-7 Benzyl chloride CAS#:1482-82-2 Dibenzyldiselane
CAS#:75-05-8 Acetonitrile CAS#:56634-64-1 Dibenzylselenon... CAS#:25862-08-2 benzylseleninyl... CAS#:670-54-2 Tetracyanoethylene
CAS#:5487-13-8 [2-[(4-fluoroph...
DownStream 7
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CAS#:1842-38-2 Benzene,1,1'-[s... CAS#:83293-39-4 (4-nitrophenyl)... CAS#:5925-78-0 methylselanylme...