10434-44-3

Basic information

• Product Name: (2Z)-4-acetyl-2-[(4-chlorophenyl)methylidene]-5-hydroxythiophen-3(2H)-one
• CAS NO: 10434-44-3
• Molecular Formula: C₁₃H₉ClO₃S
• Molecular Weight: 280.7268
• Mol File: 10434-44-3.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 495.5°C at 760 mmHg
• Flash Point: 253.4°C
• Density: 1.542g/cm³
• Vapor Pressure: 1.24E-10mmHg at 25°C
• Refractive Index: 1.73
• CAS DataBase Reference: (2Z)-4-acetyl-2-[(4-chlorophenyl)methylidene]-5-hydroxythiophen-3(2H)-one(CAS DataBase Reference)
• NIST Chemistry Reference: (2Z)-4-acetyl-2-[(4-chlorophenyl)methylidene]-5-hydroxythiophen-3(2H)-one(10434-44-3)
• EPA Substance Registry System: (2Z)-4-acetyl-2-[(4-chlorophenyl)methylidene]-5-hydroxythiophen-3(2H)-one(10434-44-3)

Safety Data

• Hazardous Substances Data: 10434-44-3(Hazardous Substances Data)

Usage

Description

(2Z)-4-acetyl-2-[(4-chlorophenyl)methylidene]-5-hydroxythiophen-3(2H)-one, also known as SCH00013, is a synthetic organic compound belonging to the class of thiophenes. It is characterized by its aromatic heterocyclic structure with a five-membered ring consisting of four carbon atoms and one sulfur atom. SCH00013 has demonstrated potential anti-cancer and anti-inflammatory properties, making it a promising candidate for the development of pharmaceutical drugs.

Uses

Used in Pharmaceutical Industry:
SCH00013 is used as a potential drug candidate for the treatment of various diseases, particularly cancer and inflammatory conditions. Its anti-cancer properties stem from its ability to inhibit the growth of cancer cells, while its anti-inflammatory effects contribute to reducing inflammation in the body.
Used in Cancer Research:
In cancer research, SCH00013 is utilized for its potential to target and inhibit the growth of cancer cells. Its mechanism of action is still under investigation, but it has shown promise in combating various types of cancer.
Used in Inflammation Management:
SCH00013 is also used in the management of inflammation, as its anti-inflammatory properties can help alleviate symptoms associated with inflammatory conditions. This can be beneficial in the development of treatments for conditions such as arthritis, autoimmune diseases, and other inflammatory disorders.

Upstream product

• 104-88-1 4-chlorobenzaldehyde 
• 17606-32-5 3-acetyl-4-hydroxythiophen-2(5H)-one 

Relevant articles and documents

Design, Synthesis, and Antifungal Activities of 3-Acyl Thiotetronic Acid Derivatives: New Fatty Acid Synthase Inhibitors

Emerging fungal phytodiseases are increasingly becoming a food security threat. Twenty-six new 3-acylthiotetronic acid derivatives were designed, synthesized, characterized, and evaluated for activities against Valsa Mali, Curvularia lunata, Fusarium graminearum, and Fusarium oxysporum f. sp. lycopersici. Among the 26 compounds, 6f was the most effective against V. Mali, C. lunata, F. graminearum, and F. oxysporum f. sp. lycopersici with median effective concentrations (EC50) of 4.1, 3.1, 3.6, and 4.1 μg/mL, respectively, while the corresponding EC50 were 0.14, 6.7, 22.4, and 4.3 μg/mL of the fungicide azoxystrobin; 4.2, 41.7, 0.42, and 0.12 μg/mL of the fungicide carbendazim; and >50, 0.19, 0.43, and BS > 50 μg/mL of the fungicide fluopyram. The inhibitory potency against V. Mali fatty acid synthase agreed well with the in vitro antifungal activity. The molecular docking suggested that the 3-acylthiotetronic acid derivatives targeted the C171Q KasA complex. The findings help understanding the mode of action and design and synthesis of novel potent fungicides.