70965-24-1

Basic information

• Product Name: 1H-1,2,4-Triazole-1-acetic acid, 3-nitro-, ethyl ester
• Synonyms: 1H-1,2,4-Triazole-1-acetic acid, 3-nitro-, ethyl ester
• CAS NO: 70965-24-1
• Molecular Formula: C₆H₈N₄O₄
• Molecular Weight: 200.16
• Mol File: 70965-24-1.mol
• Article Data: 2

Chemical Properties

• Appearance: /
• CAS DataBase Reference: 1H-1,2,4-Triazole-1-acetic acid, 3-nitro-, ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-1,2,4-Triazole-1-acetic acid, 3-nitro-, ethyl ester(70965-24-1)
• EPA Substance Registry System: 1H-1,2,4-Triazole-1-acetic acid, 3-nitro-, ethyl ester(70965-24-1)

Safety Data

• Hazardous Substances Data: 70965-24-1(Hazardous Substances Data)

Usage

Structure

1,2,4-triazole ring with a carboxylic acid group and an ethyl ester group

Type

Ethyl ester derivative of 1H-1,2,4-triazole-1-acetic acid

Usage

Organic synthesis, agrochemicals, and pharmaceuticals

Known for

Potential biological activities and applications in the development of new drugs and agrochemicals

Importance

Versatility and reactivity in organic chemistry, used as a building block for the synthesis of various pharmaceutical and agrochemical products.

Upstream product

• 105-39-5 chloroacetic acid ethyl ester 
• 24807-55-4 3-nitro-1,2,4-triazole 
• 105-36-2 ethyl bromoacetate 

Downstream Products

• 24807-55-4 3-nitro-1,2,4-triazole 
• 116419-36-4 2-(3-nitro-1H-1,2,4-triazol-1-yl)acetic acid 

Relevant articles and documents

Scaffold Hopping and Optimization of Maleimide Based Porcupine Inhibitors

Porcupine is an O-acyltransferase that regulates Wnt secretion. Inhibiting porcupine may block the Wnt pathway which is often dysregulated in various cancers. Consequently porcupine inhibitors are thought to be promising oncology therapeutics. A high throughput screen against porcupine revealed several potent hits that were confirmed to be Wnt pathway inhibitors in secondary assays. We developed a pharmacophore model and used the putative bioactive conformation of a xanthine inhibitor for scaffold hopping. The resulting maleimide scaffold was optimized to subnanomolar potency while retaining good physical druglike properties. A preclinical development candidate was selected for which extensive in vitro and in vivo profiling is reported.