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2-Ethoxyphenyl isothiocyanate, also known as ethyl 2-isothiocyanatophenyl ether, is a chemical compound with the formula C9H9NOS. It is a colorless to yellow liquid with a strong odor and a versatile building block in organic chemistry due to its reactive isothiocyanate group. 2-ETHOXYPHENYL ISOTHIOCYANATE is commonly used in the synthesis of various pharmaceuticals, agrochemicals, and other organic compounds. It also exhibits potential biological activities, such as antitumor and anti-inflammatory effects. However, it should be handled with care as it is a strong irritant to the skin, eyes, and respiratory system.

23163-84-0

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23163-84-0 Usage

Uses

Used in Pharmaceutical Industry:
2-Ethoxyphenyl isothiocyanate is used as a key intermediate in the synthesis of various pharmaceuticals for its ability to be functionalized into a wide range of bioactive compounds.
Used in Agrochemical Industry:
In the agrochemical industry, 2-Ethoxyphenyl isothiocyanate is used as a precursor in the development of agrochemicals, leveraging its reactive properties to create effective pest control agents.
Used in Organic Chemistry Research:
2-Ethoxyphenyl isothiocyanate serves as a valuable building block in organic chemistry research for the production of various functionalized derivatives, contributing to the discovery of new chemical entities with potential applications.
Used in Biological Activity Studies:
Due to its potential antitumor and anti-inflammatory effects, 2-Ethoxyphenyl isothiocyanate is utilized in biological activity studies to explore its therapeutic potential and mechanisms of action in medical and pharmaceutical applications.

Check Digit Verification of cas no

The CAS Registry Mumber 23163-84-0 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,3,1,6 and 3 respectively; the second part has 2 digits, 8 and 4 respectively.
Calculate Digit Verification of CAS Registry Number 23163-84:
(7*2)+(6*3)+(5*1)+(4*6)+(3*3)+(2*8)+(1*4)=90
90 % 10 = 0
So 23163-84-0 is a valid CAS Registry Number.
InChI:InChI=1/C9H9NOS/c1-2-11-9-6-4-3-5-8(9)10-7-12/h3-6H,2H2,1H3

23163-84-0SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-Ethoxyphenyl isothiocyanate

1.2 Other means of identification

Product number -
Other names 1-ethoxy-2-isothiocyanatobenzene

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:23163-84-0 SDS

23163-84-0Relevant academic research and scientific papers

Aminobenzimidazoles and Structural Isomers as Templates for Dual-Acting Butyrylcholinesterase Inhibitors and hCB2R Ligands To Combat Neurodegenerative Disorders

Dolles, Dominik,Nimczick, Martin,Scheiner, Matthias,Ramler, Jacqueline,Stadtmüller, Patricia,Sawatzky, Edgar,Drakopoulos, Antonios,Sotriffer, Christoph,Wittmann, Hans-Joachim,Strasser, Andrea,Decker, Michael

supporting information, p. 1270 - 1283 (2016/07/27)

A pharmacophore model for butyrylcholinesterase (BChE) inhibitors was applied to a human cannabinoid subtype 2 receptor (hCB2R) agonist and verified it as a first-generation lead for respective dual-acting compounds. The design, synthesis, and pharmacological evaluation of various derivatives led to the identification of aminobenzimidazoles as second-generation leads with micro- or sub-micromolar activities at both targets and excellent selectivity over hCB1and AChE, respectively. Computational studies of the first- and second-generation lead structures by applying molecular dynamics (MD) on the active hCB2R model, along with docking and MD on hBChE, has enabled an explanation of their binding profiles at the protein levels and opened the way for further optimization. Dual-acting compounds with “balanced” affinities and excellent selectivities could be obtained that represent leads for treatment of both cognitive and pathophysiological impairment occurring in neurodegenerative disorders.

TRICYCLIC INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION

-

Page/Page column 53, (2012/06/01)

This invention relates to tricycle I and its therapeutic and prophylactic uses, wherein the variables C1, C2, Z1, Z2, Q, J, R1, and R3 are defined in the specification. Disorders treated and/or prevented include rheumatoid arthritis.

2-Arylimino-5,6-dihydro-4H-1,3-thiazines as a new class of cannabinoid receptor agonists. Part 1: Discovery of CB2 receptor selective compounds

Kai, Hiroyuki,Morioka, Yasuhide,Murashi, Takami,Morita, Koichi,Shinonome, Satomi,Nakazato, Hitoshi,Kawamoto, Keiko,Hanasaki, Kohji,Takahashi, Fumiyo,Mihara, Shin-ichi,Arai, Tohko,Abe, Kohji,Okabe, Hiroshi,Baba, Takahiko,Yoshikawa, Takayoshi,Takenaka, Hideyuki

, p. 4030 - 4034 (2008/02/08)

2-Arylimino-5,6-dihydro-4H-1,3-thiazines have been identified as a novel class of cannabinoid agonists. A lead structure with moderate activity was discovered through a high throughput screening assay. Structure-activity relationships led to the discovery of potent agonists of CB2 receptor. The most potent compound 13 displays Ki values of >5000 and 9 nM to CB1 and CB2 receptors, respectively.

2-Arylimino-5,6-dihydro-4H-1,3-thiazines as a new class of cannabinoid receptor agonists. Part 2: Orally bioavailable compounds

Kai, Hiroyuki,Morioka, Yasuhide,Tomida, Minoru,Takahashi, Tadashi,Hattori, Maki,Hanasaki, Kohji,Koike, Katsumi,Chiba, Hiroki,Shinohara, Shunji,Kanemasa, Toshiyuki,Iwamoto, Yuka,Takahashi, Kohji,Yamaguchi, Yoshitaka,Baba, Takahiko,Yoshikawa, Takayoshi,Takenaka, Hideyuki

, p. 3925 - 3929 (2008/02/11)

Structure-activity relationships and efforts to optimize the pharmacokinetic profile of a class of 2-arylimino-5,6-dihydro-4H-1,3-thiazines as cannabinoid receptor agonists are described. Among the compounds examined, compound 14 showed potent affinity and high selectivity for CB2, and compound 23 showed potent affinities against CB1 and CB2. These compounds displayed oral bioavailability.

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