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Benzeneacetic acid, 2-[(4-chlorophenyl)thio]-, also known as 4-chlorothiophenylacetic acid, is a chemical compound with the molecular formula C10H9ClOS. It is a white powder with a molecular weight of 222.7 g/mol. Benzeneacetic acid, 2-[(4-chlorophenyl)thio]is an important intermediate in the synthesis of pharmaceuticals and agrochemicals, and it has been studied for its potential anti-inflammatory and analgesic properties. Additionally, it has been identified as a potential metabolite of certain pesticides and herbicides, making it a significant compound in the field of organic chemistry.

13459-62-6

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13459-62-6 Usage

Uses

Used in Pharmaceutical Industry:
Benzeneacetic acid, 2-[(4-chlorophenyl)thio]is used as a key intermediate in the synthesis of various pharmaceuticals. Its role in the production of drugs is crucial, as it can be transformed into active ingredients through chemical reactions.
Used in Agrochemical Industry:
In the agrochemical sector, benzeneacetic acid, 2-[(4-chlorophenyl)thio]serves as an essential component in the formulation of certain agrochemicals. Its presence in these products contributes to their effectiveness in agricultural applications.
Used in Research and Development:
Benzeneacetic acid, 2-[(4-chlorophenyl)thio]is used as a research compound for studying its potential anti-inflammatory and analgesic properties. This research could lead to the development of new medications for the treatment of pain and inflammation.
Used in Environmental Studies:
As a potential metabolite of certain pesticides and herbicides, benzeneacetic acid, 2-[(4-chlorophenyl)thio]is used in environmental studies to understand the impact of these chemicals on ecosystems and to develop safer alternatives.

Check Digit Verification of cas no

The CAS Registry Mumber 13459-62-6 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 1,3,4,5 and 9 respectively; the second part has 2 digits, 6 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 13459-62:
(7*1)+(6*3)+(5*4)+(4*5)+(3*9)+(2*6)+(1*2)=106
106 % 10 = 6
So 13459-62-6 is a valid CAS Registry Number.

13459-62-6SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(2-((4-chlorophenyl)thio)phenyl)acetic acid

1.2 Other means of identification

Product number -
Other names 2-[(4-Chlorophenyl)thio]benzeneacetic acid

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:13459-62-6 SDS

13459-62-6Relevant academic research and scientific papers

DIHYDROBENZO[B][1]BENZOTHIEPIN COMPOUNDS USEFUL IN THERAPY

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Page/Page column 29; 30; 31; 32; 34, (2019/05/30)

The present invention relates to the use of a compound of formula (I), to decrease or inhibit, in vitro or ex vivo, the Patched receptor drug efflux activity, in particular the chemotherapeutic drug efflux activity and chemotherapy resistance. The present disclosure further relates to uses of such compounds, in particular to prepare a pharmaceutical composition to allow or improve the efficiency of a therapy of cancer in a subject in need thereof. The compound of the invention can indeed be advantageously used, in combination with at least one chemotherapeutic drug, for treating cancer, for preventing cancer metastasis and/or for preventing cancer recurrence in a subject.

Overcoming chloroquine resistance in malaria: Design, synthesis and structure-activity relationships of novel chemoreversal agents

Boudhar, Aicha,Ng, Xiao Wei,Loh, Chiew Yee,Chia, Wan Ni,Tan, Zhi Ming,Nosten, Francois,Dymock, Brian W.,Tan, Kevin S.W.

, p. 231 - 249 (2016/05/24)

Malaria remains a significant infectious disease with even artemisinin-based therapies now facing resistance in the field. Development of new therapies is urgently needed, either by finding new compounds with unique modes of action, or by reversing resistance towards known drugs with 'chemosensitizers' or 'chemoreversal' agents (CRA). Concerning the latter, we have focused on the resistance mechanisms developed against chloroquine (CQ). We have synthesized a series of compounds related to previously identified CRAs, and found promising novel compounds. These compounds show encouraging results in a coumarin labeled chloroquine uptake assay, exhibiting a dose response in resensitising parasites to the antimalarial effects of chloroquine. Selected compounds show consistent potency across a panel of chloroquine and artemisinin sensitive and resistant parasites, and a wide therapeutic window. This data supports further study of CRAs in the treatment of malaria and, ultimately, their use in chloroquine-based combination therapies.

Exploring the neuroleptic substituent in octoclothepin: Potential ligands for positron emission tomography with subnanomolar affinity for α1-adrenoceptors

Kristensen, Jesper L.,Püschl, Ask,Jensen, Martin,Risgaard, Rune,Christoffersen, Claus T.,Bang-Andersen, Benny,Balle, Thomas

experimental part, p. 7021 - 7034 (2010/11/18)

A series of 1-(10,11-dihydrodibenzo[b,f]thiepin-10-yl)-4-methylpiperazine analogues substituted in the 8-position of the 10,11-dihydrodibenzo[b,f]thiepine scaffold with aryl, heteroaryl, amine, and amide substituents are described. The compounds were designed using the previously reported Liljefors- B?ges? pharmacophore model for dopamine D2 and α1-adrenoceptor antagonists, with the aim of obtaining selective α1-adrenoceptor antagonists suitable for development as radioligands for imaging of central α1-adrenoceptors by positron emission tomography. Sixteen aryl and heteroaryl substituted octoclothepin analogues were prepared by a convergent synthesis via coupling of 1-methyl-4-(8-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-10, 11-dihydrodibenzo[b,f]thiepin-10-yl)piperazine with aryl and heteroaryl halides under palladium catalysis. The most selective compound obtained, (S)-N-((11-(4-methylpiperazin-1-yl)-10,11-dihydrodibenzo[b,f]thiepin-2-yl) methyl)isobutyramide (S)-35, showed a similar subnanomolar affinity compared to α1a, α1b, and α1d- adrenoceptors and a selectivity ratio of 20, 440, and 20 with respect to D 2, 5-HT2C, and H1 receptors, respectively.

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