1358573-94-0

Basic information

• Product Name: methyl 5-bromo-1-methyl-1H-1,2,4-triazole-3-carboxylate
• Synonyms: methyl 5-bromo-1-methyl-1H-1,2,4-triazole-3-carboxylate
• CAS NO: 1358573-94-0
• Molecular Formula: C5H6BrN3O2
• Molecular Weight: 220.03
• Mol File: 1358573-94-0.mol

Chemical Properties

• Appearance: /
• CAS DataBase Reference: methyl 5-bromo-1-methyl-1H-1,2,4-triazole-3-carboxylate(CAS DataBase Reference)
• NIST Chemistry Reference: methyl 5-bromo-1-methyl-1H-1,2,4-triazole-3-carboxylate(1358573-94-0)
• EPA Substance Registry System: methyl 5-bromo-1-methyl-1H-1,2,4-triazole-3-carboxylate(1358573-94-0)

Safety Data

• Hazardous Substances Data: 1358573-94-0(Hazardous Substances Data)

Upstream product

• 67-56-1 methanol 
• 57031-66-0 methyl 1-methyl-1H-1,2,4-triazole-3-carboxylate 

Relevant articles and documents

Novel Sigma 1 Receptor Antagonists as Potential Therapeutics for Pain Management

The sigma 1 receptor (S1R) is a molecular chaperone protein located in the endoplasmic reticulum and plasma membranes and has been shown to play important roles in various pathological disorders including pain and, as recently discovered, COVID-19. Employing structure- and QSAR-based drug design strategies, we rationally designed, synthesized, and biologically evaluated a series of novel triazole-based S1R antagonists. Compound 10 exhibited potent binding affinity for S1R, high selectivity over S2R and 87 other human targets, acceptable in vitro metabolic stability, slow clearance in liver microsomes, and excellent blood-brain barrier permeability in rats. Further in vivo studies in rats showed that 10 exhibited negligible acute toxicity in the rotarod test and statistically significant analgesic effects in the formalin test for acute inflammatory pain and paclitaxel-induced neuropathic pain models during cancer chemotherapy. These encouraging results promote further development of our triazole-based S1R antagonists as novel treatments for pain of different etiologies.

RAS INHIBITORS

The disclosure features macrocyclic compounds, and pharmaceutical compositions and protein complexes thereof, capable of inhibiting Ras proteins, and their uses in the treatment of cancers.

Preparation method 1 - methyl - 1H -1, 2, 4 - triazole -3 - methyl formate

The invention discloses 1 - methyl - 1H -1. 2,4 - Triazole -3 - methyl formate preparation method belongs to the technical field of organic synthesis. To 1, 2, 4 - triazole as the raw material, firstly the nucleophilic substitution of methyl 1 -1 and 2 triazole is carried out under the action of a lithium reagent, 4 -position carboxylic acid is obtained by reacting 5-position with carbon dioxide under the action of a non-polar strong base LDA, and 3-position protection is carried out to obtain 3-methyl 3 2, 4 - 5 and 1 -3 - triazole - 1H -1. The invention provides a novel preparation method. Raw materials are easily available, N - methylisomerisation and over quaternization reaction problems are avoided from the source.