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S9652

Sigma-Aldrich

黄樟素

≥97%

别名:

4-烯丙基-1,2-亚甲基二氧基苯, 5-烯丙基-1,3-苯并二噁茂

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About This Item

经验公式（希尔记法）:
C10H10O2
CAS号:
94-59-7
分子量:
162.19
Beilstein:
136380
EC號碼:
202-345-4
MDL號碼:
MFCD00005841
分類程式碼代碼:
12352200
PubChem物質ID:
24899851
NACRES:
NA.25

蒸汽壓力

1 mmHg ( 63.8 °C)

品質等級

200

化驗

≥97%

顏色

yellow

折射率

n20/D 1.537 (lit.)

bp

232-234 °C (lit.)

mp

11.2 °C (lit.)

密度

1.095 g/mL at 25 °C (lit.)

應用

metabolomics
vitamins, nutraceuticals, and natural products

SMILES 字串

C=CCc1ccc2OCOc2c1

InChI

1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2

InChI 密鑰

ZMQAAUBTXCXRIC-UHFFFAOYSA-N

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相关类别

一般說明

Safrole is used as a counter irritant and for treating parasitic infections.

應用

Safrole has been used to investigate the role of aldehyde dehydrogenase 3A1 (ALDH3A1) in conferring cisplatin resistance to head and neck squamous cell carcinoma (HNSCC).

生化／生理作用

黄樟素是在黄樟根和槟榔嚼块中发现的天然基因毒性化合物。它是致肝癌物，并且黄樟素-DNA 加合物还见于槟榔消费者的口腔癌。黄樟素的代谢产物与 DNA 形成加合物，并且会诱导染色体畸变和姐妹染色单体交换。
Safrole is one of the vital food‐borne phytotoxins. It is present in various natural products such as spices including anise, basil, nutmeg and pepper. It exhibits cytotoxic effect in human tongue squamous carcinoma SCC‐4 cells by promoting apoptosis via mitochondria‐ and caspase‐dependent signal pathways.

其他說明

黄樟油的主要成分

象形圖

Health hazardExclamation mark
GHS08,GHS07

訊號詞

Danger

危險分類

Acute Tox. 4 Oral - Carc. 1B - Muta. 2 - Skin Irrit. 2

儲存類別代碼

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

水污染物質分類（WGK）

WGK 3

閃點（°F）

212.0 °F - closed cup

閃點（°C）

100 °C - closed cup

個人防護裝備

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
BCCG2870
SLBM3434V
SLBM3432V
SLBM3498V
SLBM3430V

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Safrole induces cell death in human tongue squamous cancer SCC-4 cells through mitochondria-dependent caspase activation cascade apoptotic signaling pathways
FS Yu, et al.
Environmental Toxicology, 27(7), 433-444 (2012)
Targeting aldehyde dehydrogenase activity in head and neck squamous cell carcinoma with a novel small molecule inhibitor
Kim J, et al.
Oncotarget, 8(32), 52345-52345 (2017)
Chapter 3-Families of compounds that occur in essential oils
Essential Chemistry for Aromatherapy, 41-77 (2008)
Erryana Martati et al.
Toxicological sciences : an official journal of the Society of Toxicology, 128(2), 301-316 (2012-05-17)
A physiologically based biokinetic (PBBK) model for the alkenylbenzene safrole in humans was developed based on in vitro- and in silico-derived kinetic parameters. With the model obtained, the time- and dose-dependent formation of the proximate and ultimate carcinogenic metabolites, 1-hydroxysafrole
Naoki Shinohara et al.
ChemMedChem, 7(10), 1770-1773 (2012-04-11)
Chemical point mutation: Polytheonamide B is a naturally occurring polypeptide containing 48 amino acids. It both displays potent cytotoxicity and acts as a monovalent cation channel in vitro. Chemoselective methods to modify the 44th, N-, and C-terminal residues of the
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