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2-Methoxybenzyl isothiocyanate, with the chemical formula C9H9NOS and a molecular weight of 179.23 g/mol, is a member of the benzyl isothiocyanate family. It is a naturally occurring compound derived from sinigrin, which is found in cruciferous vegetables such as mustard, horseradish, and cress. 2-METHOXYBENZYL ISOTHIOCYANATE has demonstrated potential anticancer properties, particularly against human leukemia cells, by inducing apoptosis and inhibiting cell growth. Furthermore, it exhibits antioxidant and anti-inflammatory activities, positioning it as a promising candidate for further research and potential therapeutic applications.

17608-09-2

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17608-09-2 Usage

Uses

Used in Pharmaceutical Industry:
2-Methoxybenzyl isothiocyanate is used as an anticancer agent for its potential to target and combat human leukemia cells. It functions by inducing apoptosis and inhibiting cell growth, making it a valuable compound in the development of cancer treatments.
Used in Nutraceutical Industry:
Given its antioxidant and anti-inflammatory properties, 2-Methoxybenzyl isothiocyanate is used as a nutraceutical ingredient to support overall health and well-being. Its natural origin and health-promoting effects make it a desirable component in dietary supplements and functional foods.
Used in Research and Development:
2-Methoxybenzyl isothiocyanate is utilized as a subject of research for its potential therapeutic applications. Scientists are investigating its mechanisms of action and exploring ways to enhance its bioavailability and effectiveness in treating various diseases, including cancer.
Used in Agricultural Industry:
As a naturally occurring compound found in cruciferous vegetables, 2-Methoxybenzyl isothiocyanate may also be used in the agricultural industry to enhance the nutritional value and health benefits of these crops, potentially leading to the development of new crop varieties with improved properties.

Check Digit Verification of cas no

The CAS Registry Mumber 17608-09-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,7,6,0 and 8 respectively; the second part has 2 digits, 0 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 17608-09:
(7*1)+(6*7)+(5*6)+(4*0)+(3*8)+(2*0)+(1*9)=112
112 % 10 = 2
So 17608-09-2 is a valid CAS Registry Number.
InChI:InChI=1/C9H9NOS/c1-11-9-5-3-2-4-8(9)6-10-7-12/h2-5H,6H2,1H3

17608-09-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Methoxybenzyl isothiocyanate

1.2 Other means of identification

Product number -
Other names 1-(isothiocyanatomethyl)-2-methoxybenzene

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:17608-09-2 SDS

17608-09-2Relevant academic research and scientific papers

Synthesis and cytotoxic evaluation of quinazolin-4(3H)-one derivatives bearing thiocarbamate, thiourea or N-methyldithiocarbamate side Chains

Cao, Sheng-Li,Xu, Hong,Wang, Yao,Liao, Ji,Zhang, Jing-Jing,Li, Zhong-Feng,Guo, Yan-Wen,Li, Xiao-Rong,Cui, Xue-Mei,Xu, Xingzhi

experimental part, p. 163 - 173 (2012/07/31)

We have previously found that the dithiocarbamate derivatives of quinazolin-4(3H)-one could act as cytotoxic agents against a panel of human tumor cell lines. To investigate the contribution of dithiocarbamate moiety to the cytotoxic activity, three series of novel quinazolin-4(3H)-one derivatives bearing thiocarbamate, thiourea or Nmethyldithiocarbamate side chains were synthesized and tested for their cytotoxic activity against human cancer cell lines A549, MCF-7, HeLa, HT29 and HCT-116 by MTT assay. The results showed that transformation of the dithiocarbamate moiety in lead compound I to thiocarbamate or thiourea led to a decrease or loss of cytotoxic activity. Some N-alkylated analogs of lead compound II preferentially inhibited the proliferation of A549 cells, although their potencies were not improved in comparison with the unalkylated counterparts. The structure-activity relationship obtained in this research will be beneficial for further synthesis and discovery of effective cytotoxic agents.

Antimicrobial volatile glucosinolate autolysis products from Hornungia petraea (L.) Rchb. (Brassicaceae)

Radulovi?, Niko S.,Deki?, Milan S.,Stojanovi?-Radi?, Zorica Z.

experimental part, p. 351 - 357 (2012/07/16)

Plant samples of Hornungia petraea were analyzed for glucosinolate (GLS) autolysis metabolites for the first time. GC-MS analysis of the autolysate and the synthesis of a series (12 compounds) of possible glucosinolate breakdown products revealed/corroborated the presence of glucoaubrietin, glucolimnanthin, glucolepigramin and glucotropaeolin in this species as the most likely "mustard oil" precursors. GLS degradation products identified in the autolysate of H. petraea, benzyl isothiocyanate, 3- and 4-methoxybenzyl isothiocyanate, along with several other structurally related compounds were evaluated for antimicrobial activity in order to possibly pinpoint the role of the latter secondary metabolites in the plant tissues. The assays showed a very high antibacterial activity of the tested isothiocyanates against Sarcina lutea and an antifungal effect against Aspergillus fumigatus and Candida albicans with MIC values in the order of 1 μg/ml value.

Selective Alpha 2B/2C Agonists

-

Page/Page column 10-11, (2011/02/25)

Described herein are compounds useful as agonists of alpha 2B/2C receptors. Pharmaceutical compositions including the presently described compounds and methods of treatment of diseases and conditions with the presently described compounds also are disclos

A new efficient synthesis of isothiocyanates from amines using di-tert-butyl dicarbonate

Munch, Henrik,Hansen, Jon S.,Pittelkow, Michael,Christensen, J?rn B.,Boas, Ulrik

, p. 3117 - 3119 (2008/09/20)

Alkyl and aryl amines are converted smoothly to the corresponding isothiocyanates via the dithiocarbamates in good to excellent yields using di-tert-butyl dicarbonate (Boc2O) and 1-3 mol % of DMAP or DABCO as catalyst. As most of the byproducts are volatile, the work-up involves simple evaporation of the reaction mixture.

2-IMINO-1,3-THIAZINE DERIVATIVES

-

, (2008/06/13)

A compound of the formula (I) of the present invention selectively binds to a cannabinoid type 2 receptor (CB2R) and exhibits an antagonistic activity or agonistic activity to CB2R. wherein R1 is optionally substituted alkylene; R2 i

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