4671-93-6

• 常用中文名：Benzyl selenocyanate
• 常用英文名：Benzyl selenocyanate
• CAS号：4671-93-6
• 分子式：C₈H₇NSe
• 分子量：196.10800
• 相关类别： 信号通路 表观遗传学 DNA甲基转移酶
• 发布时间：2016-10-14 04:38:01
• 更新时间：2025-08-24 19:45:42
• Benzyl selenocyanate 是一种化学预防剂,用于动物模型中各种化学诱导肿瘤的启动和启动后阶段。Benzyl selenocyanate 是一种 Mtase 抑制剂,其 IC50 值为 8.4 µM 。

名称

• 中文名: 硒氰酸苄酯
• 英文名: benzyl selenocyanate
• 英文别名: Selenocyansaeure-benzylester; Benzylselenocyanat; C8H7NSe; benzylselenocyanate; phenylmethaneselenenyl cyanide; Selenocyanic acid,benzyl ester

物化性质

• 沸点: 276.7ºC at 760 mmHg
• 分子式: C₈H₇NSe
• 分子量: 196.10800
• 闪点: 121.2ºC
• 精确质量: 196.97400
• PSA: 23.79000
• LogP: 1.63828
• 储存条件: 2-8°C，密封，干燥

生物活性

• 描述: Benzyl selenocyanate 是一种化学预防剂,用于动物模型中各种化学诱导肿瘤的启动和启动后阶段。Benzyl selenocyanate 是一种 Mtase 抑制剂,其 IC50 值为 8.4 µM 。
• 相关类别:
  研究领域 >> 癌症
  信号通路 >> 表观遗传学 >> DNA甲基转移酶
• 靶点:

  Mtase[1]

• 体外研究: 硒氰酸苄酯以浓度依赖性方式抑制DNA(胞嘧啶-5)-甲基转移酶(Mtase)的活性[1]。
• 参考文献:

  [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.

毒性和生态

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

合成路线

100-39-0 3425-46-5 ~99% 4671-93-6

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

3425-46-5 100-44-7 ~84% 4671-93-6

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

1482-82-2 75-05-8 ~49% 4671-93-6

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

56634-64-1 ~% 4671-93-6

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

100-44-7 ~% 4671-93-6

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

25862-08-2 670-54-2 ~% 4671-93-6

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

5487-13-8 100-39-0 ~% 4671-93-6

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

上下游产品

上游产品  9
100-39-0 3425-46-5 100-44-7 1482-82-2
75-05-8 56634-64-1 25862-08-2 670-54-2
5487-13-8
下游产品  7
7677-24-9 186047-38-1 100-44-7 1482-82-2
1842-38-2 83293-39-4 5925-78-0