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4596-39-8

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4596-39-8 Usage

General Description

Synthesis of 4-(2-Chloroacetamido)benzoic acid has been reported. It is reported as key intermediate in the synthesis of series of Matijing-Su (MTS, N-(N-benzoyl-L-phenylalanyl)-O-acetyl-L-phenylalanol) derivatives.

Check Digit Verification of cas no

The CAS Registry Mumber 4596-39-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 4,5,9 and 6 respectively; the second part has 2 digits, 3 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 4596-39:
(6*4)+(5*5)+(4*9)+(3*6)+(2*3)+(1*9)=118
118 % 10 = 8
So 4596-39-8 is a valid CAS Registry Number.
InChI:InChI=1/C9H8ClNO3/c10-5-8(12)11-7-3-1-6(2-4-7)9(13)14/h1-4H,5H2,(H,11,12)(H,13,14)

4596-39-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-[(2-chloroacetyl)amino]benzoic acid

1.2 Other means of identification

Product number -
Other names 4-(2-Chlor-acetylamino)-benzoesaeure

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:4596-39-8 SDS

4596-39-8Relevant articles and documents

Novel benzoic thiazolidin-4-one derivatives targeting DevR/DosR dormancy regulator of Mycobacterium tuberculosis

Gupta, Rajesh Kumar,Jain, Neha,Kumar, Amit,Sarkar, Anjana,Sharma, Deeksha,Sharma, Saurabh,Sinha, Niharika,Tyagi, Jaya Sivaswami

, (2022/01/14)

Latent tuberculosis infection is caused by Mycobacterium tuberculosis (Mtb) persistence and poses a significant challenge to the eradication of tuberculosis. The detection of Mtb DevR/DosR dormancy regulon expression in clinical specimens has provided evi

Discovery of new quinoxaline-based derivatives as anticancer agents and potent VEGFR-2 inhibitors: Design, synthesis, and in silico study

Al-Hossaini, Abdulah M.,Alanazi, Mohammed M.,Alanazi, Wael A.,Alharbi, Madhawi A.,Alsaif, Nawaf A.,Dahab, Mohammed A.,Eissa, Ibrahim H.,Elkady, Hazem,Obaidullah, Ahmad J.

, (2022/01/13)

VEGFR-2 is one of the most vital targets for the treatment of solid tumors. This work represents synthetic approaches of new set of quinoxaline-based derivatives having comparable essential pharmacophoric properties of VEGFR-2 inhibitors. The antiproliferative findings revealed that compound 21a displayed the most potent effect against MCF-7 and HepG2 cell lines with IC50 values of 12.9 and 7.5 μM, respectively. Further assessment was carried out for all the synthesized members against VEGFR-2 enzyme. Excitingly, the data of VEGFR-2 assay were comparable to that of antiproliferative assay. Compound 21a was the most powerful member against VEGFR-2 with an IC50 value of 3.8 nM, comparing to sorafenib (IC50 = 3.12 nM). Finally, molecular docking experiments were conducted to foresee how the synthesized compounds can bind to their prospective biological target; VEGFR-2. The docking results showed the ability of the synthesized compounds to bind VEGFR-2 in a correct manner. Lastly, computational physicochemical estimation of the most active candidates displayed that they have favorable assets with reasonable drug-likeness reports.

Design, synthesis, molecular docking, anticancer evaluations, and in silico pharmacokinetic studies of novel 5-[(4-chloro/2,4-dichloro)benzylidene]thiazolidine-2,4-dione derivatives as VEGFR-2 inhibitors

El-Adl, Khaled,El-Helby, Abdel-Ghany A.,Sakr, Helmy,Ayyad, Rezk R.,Mahdy, Hazem A.,Nasser, Mohamed,Abulkhair, Hamada S.,El-Hddad, Sanadelaslam S. A.

, (2020/10/20)

The anticancer activity of novel thiazolidine-2,4-diones was evaluated against HepG2, HCT-116, and MCF-7 cells. MCF-7 was the most sensitive cell line to the cytotoxicity of the new derivatives. In particular, compounds 18, 12, 17, and 16 were found to be the most potent derivatives over all the tested compounds against the cancer cell lines HepG2, HCT116, and MCF-7, with IC50 = 9.16 ± 0.9, 8.98 ± 0.7, 5.49 ± 0.5 μM; 9.19 ± 0.5, 8.40 ± 0.7, 6.10 ± 0.4 μM; 10.78 ± 1.2, 8.87 ± 1.5, 7.08 ± 1.6 μM; and 10.87 ± 0.8, 9.05 ± 0.7, 7.32 ± 0.4 μM, respectively. Compounds 18 and 12 have nearly the same activities as sorafenib (IC50 = 9.18 ± 0.6, 5.47 ± 0.3, and 7.26 ± 0.3 μM, respectively), against HepG2 cells, but slightly lower activity against HCT116 cells and slightly higher activity against the MCF-7 cancer cell line. Also, these compounds displayed lower activities than doxorubicin against HepG2 and HCT-116 cells but higher activity against MCF-7 cells (IC50 = 7.94 ± 0.6, 8.07 ± 0.8, and 6.75 ± 0.4 μM, respectively). In contrast, compounds 17 and 16 exhibited lower activities than sorafenib against HepG2 and HCT116 cells, but nearly equipotent activity against the MCF-7 cancer cell line. Also, these compounds displayed lower activities than doxorubicin against the three cell lines. All the synthesized derivatives 7–18 were evaluated for their inhibitory activities against VEGFR-2. The tested compounds displayed high to medium inhibitory activity, with IC50 values ranging from 0.17 ± 0.02 to 0.27 ± 0.03 μM. Compounds 18, 12, 17, and 16 potently inhibited VEGFR-2 at IC50 values of 0.17 ± 0.02, 0.17 ± 0.02, 0.18 ± 0.02, and 0.18 ± 0.02 μM, respectively, which are nearly more than half of that of the IC50 value for sorafenib (0.10 ± 0.02 μM).

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