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253731

Sigma-Aldrich

异硫氰酸苯乙酯

99%

别名:

2-苯基乙基异硫代氰酸酯

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About This Item

线性分子式:
C6H5CH2CH2NCS
CAS号:
2257-09-2
分子量:
163.24
Beilstein:
2084162
EC 号:
218-855-5
MDL编号:
MFCD00004821
UNSPSC代码:
12352100
PubChem化学物质编号:
24855324
NACRES:
NA.22

质量水平

100

方案

99%

表单

liquid

折射率

n20/D 1.5888 (lit.)

沸点

139-140 °C/11 mmHg (lit.)

密度

1.094 g/mL at 25 °C (lit.)

官能团

amine
isothiocyanate
phenyl

储存温度

2-8°C

SMILES字符串

S=C=NCCc1ccccc1

InChI

1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2

InChI key

IZJDOKYDEWTZSO-UHFFFAOYSA-N

基因信息

human ... CYP1A2(1544)

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相关类别

一般描述

异硫氰酸苯乙酯是十字花科蔬菜中天然存在的异硫氰酸苯乙酯。异硫氰酸苯乙酯是一种化学预防剂 。在各种人类癌细胞模型中通过阻滞细胞周期、诱导细胞凋亡而抑制癌细胞生长 。

象形图

Health hazardExclamation mark
GHS08,GHS07

警示用语：

Danger

危险分类

Acute Tox. 4 Dermal - Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Eye Irrit. 2 - Resp. Sens. 1 - Skin Irrit. 2 - Skin Sens. 1 - STOT SE 3

靶器官

Respiratory system

储存分类代码

10 - Combustible liquids

WGK

WGK 3

闪点(°F)

235.4 °F - closed cup

闪点(°C)

113 °C - closed cup

个人防护装备

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

历史批次信息供参考:

分析证书(COA)

Lot/Batch Number
SHBS3522
SHBP4762
SHBP3356
SHBM9432
SHBL9110

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Yating Wang et al.
Molecular medicine reports, 10(1), 543-549 (2014-05-03)
Phenethyl isothiocyanate (PEITC), a potential cancer chemopreventive constituent of cruciferous vegetables, including watercress, has been reported to inhibit cancer cell growth by arresting the cell cycle and inducing apoptosis in various human cancer cell models. However, the role of PEITC
Marilyn E Morris et al.
The AAPS journal, 16(4), 705-713 (2014-05-14)
Phenethyl isothiocyanate (PEITC)-a naturally occurring isothiocyanate in cruciferous vegetables-has been extensively studied as a chemopreventive agent in several preclinical species and in humans. Pharmacokinetic features of unchanged PEITC are (I) linear and first-order absorption, (II) high protein binding and capacity-limited
L D Huong et al.
Oral diseases, 18(5), 513-519 (2012-02-09)
β-Phenylethyl isothiocyanate (PEITC) has been demonstrated to fight many types of cancers through various molecular pathways. In this study, we focused on its effect on the induction of apoptosis to inhibit cell growth and molecular mechanism in oral cancer. 3-(4,5-dimethylthiazol-2-yl)-5-(2,4-disulfophenyl)-2-(4
Andrzej Pawlik et al.
Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association, 50(10), 3577-3594 (2012-08-01)
Isothiocyanates are known for their anticarcinogenic and antitumor potential, however, the exact mechanism of their action has not been fully elucidated. The present study was designed to investigate and compare the effects of phenethyl isothiocyanate on cell morphology, the cytoskeleton
Ka Lung Cheung et al.
The AAPS journal, 12(1), 87-97 (2009-12-17)
Development of cancer is a long-term and multistep process which comprises initiation, progression, and promotion stages of carcinogenesis. Conceivably, it can be targeted and interrupted along these different stages. In this context, many naturally occurring dietary compounds from our daily
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