84160-39-4

Basic information

• Product Name: 2-(CARBOXYMETHYLTHIO)-5-(P-TOLYL)-1,3,4-OXADIAZOLE
• Synonyms: AKOS TOT-0340;2-(CARBOXYMETHYLTHIO)-5-(P-TOLYL)-1,3,4-OXADIAZOLE;(5-p-Tolyl-[1,3,4]oxadiazol-2-ylsulfanyl)-acetic acid
• CAS NO: 84160-39-4
• Molecular Formula: C₁₁H₁₀N₂O₃S
• Molecular Weight: 250.27
• Mol File: 84160-39-4.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 455.2±55.0 °C(Predicted)
• Appearance: /
• Density: 1.42±0.1 g/cm3(Predicted)
• PKA: 2.85±0.10(Predicted)
• CAS DataBase Reference: 2-(CARBOXYMETHYLTHIO)-5-(P-TOLYL)-1,3,4-OXADIAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 2-(CARBOXYMETHYLTHIO)-5-(P-TOLYL)-1,3,4-OXADIAZOLE(84160-39-4)
• EPA Substance Registry System: 2-(CARBOXYMETHYLTHIO)-5-(P-TOLYL)-1,3,4-OXADIAZOLE(84160-39-4)

Safety Data

• HazardClass: IRRITANT
• Hazardous Substances Data: 84160-39-4(Hazardous Substances Data)

Usage

General Description

2-(Carboxymethylthio)-5-(p-tolyl)-1,3,4-oxadiazole is a chemical compound that contains a 1,3,4-oxadiazole ring with carboxymethylthio and p-tolyl substituents. It is used in the synthesis of various pharmaceutical and agricultural products. 2-(CARBOXYMETHYLTHIO)-5-(P-TOLYL)-1,3,4-OXADIAZOLE exhibits potential antibacterial, antifungal, and anti-inflammatory properties. It has also been studied for its potential as an anticancer and antiviral agent. Additionally, it has shown promising results as a fluorescent probe for the detection of metal ions. Overall, 2-(carboxymethylthio)-5-(p-tolyl)-1,3,4-oxadiazole is a versatile compound with a wide range of applications in medicinal and chemical research.

Upstream product

• 31130-15-1 2-mercapto-5-(4-methylphenyl)-1,3,4-oxadiazole 
• 79-11-8 chloroacetic acid 
• 3619-22-5 p-toluic hydrazide 
• 94-08-6 4-methylbenzoic acid ethyl ester 
• 99-94-5 p-Toluic acid 

Downstream Products

• 1332617-01-2 C₁₁H₉ClN₂O₂S 

Relevant articles and documents

Design, synthesis, biological evaluation, and 3D-QSAR analysis of podophyllotoxin–dioxazole combination as tubulin targeting anticancer agents

The advancement of cancer-fighting drugs has never been a simple linear process. Those drug design professionals begin to find inspiration from the nature after failing to find the ideal products by creative drug design and high-throughput screening. To obtain new molecules for inhibiting tubulin, podophyllotoxin was adopted as the leading compound and 1,3,4-oxadiazole was brought in to the C-4 site of podophyllotoxin in this research. A series of seventeen podophyllotoxin-derived esters have been achieved and then evaluated their antitumor activities against four different cancer cell lines: A549, MCF-7, HepG2, and HeLa. Among all the compounds, compound 7c showed the best antiproliferating properties with IC50?=?2.54?±?0.82?μm against MCF-7 cancer cell line. It was obvious that the content of ROS grew significantly in MCF-7 in a way depending on the dosage. The time- and dose-dependent cell cycle assays revealed that compound 7c could apparently block cell cycle in the phase of G2/M along with the upregulation of cyclin A2 and CDK2 protein. According to further studies, confocal microscopy experiment has certified that compound 7c could restrain cancer from growing by blocking the polymerization of microtubule. Meanwhile, compound 7c could be ideally integrated with the colchicine site of tubulin. In future, it would be feasible to selectively design tubulin inhibitors with the help of 3D-QSAR. This means that it is hopeful to develop compound 7c as a potential agent against cancer due to its biological characteristics.