1260530-42-4

Basic information

• Product Name: 4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-4-acetic acid, 6-(4-chlorophenyl)-8-Methoxy-1-Methyl-
• Synonyms: 4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-4-acetic acid, 6-(4-chlorophenyl)-8-Methoxy-1-Methyl-;2-(6-(4-Chlorophenyl)-8-methoxy-1-methyl-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepin-4-yl)acetic acid
• CAS NO: 1260530-42-4
• Molecular Formula: C₂₀H₁₇ClN₄O₃
• Molecular Weight: 396.82698
• Mol File: 1260530-42-4.mol
• Article Data: 1

Chemical Properties

• Boiling Point: 648.3±65.0 °C(Predicted)
• Appearance: /
• Density: 1.44±0.1 g/cm3(Predicted)
• PKA: 4.12±0.10(Predicted)
• CAS DataBase Reference: 4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-4-acetic acid, 6-(4-chlorophenyl)-8-Methoxy-1-Methyl-(CAS DataBase Reference)
• NIST Chemistry Reference: 4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-4-acetic acid, 6-(4-chlorophenyl)-8-Methoxy-1-Methyl-(1260530-42-4)
• EPA Substance Registry System: 4H-[1,2,4]Triazolo[4,3-a][1,4]benzodiazepine-4-acetic acid, 6-(4-chlorophenyl)-8-Methoxy-1-Methyl-(1260530-42-4)

Safety Data

• Hazardous Substances Data: 1260530-42-4(Hazardous Substances Data)

Upstream product

• 91713-54-1 [2-amino-5-(methyloxy)phenyl](4-chlorophenyl)methanone 
• 1260530-41-3 methyl [6-(4-chlorophenyl)-1-methyl-8-(methyloxy)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate 
• 1260530-39-9 methyl [5-(4-chlorophenyl)-7-(methyloxy)-2-thioxo-2,3-dihydro-1H-1,4-benzodiazepin-3-yl]acetate 
• 1300019-46-8 (S)-methyl 2-(5-(4-chlorophenyl)-7-methoxy-2-oxo-2,3-dihydro-1H-benzo[e][1,4]diazepin-3-yl)acetate 

Downstream Products

• 1260530-43-5 2-[6-(4-chlorophenyl)-1-methyl-8-(methyloxy)-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide 

Relevant articles and documents

Discovery and characterization of small molecule inhibitors of the BET family bromodomains

Epigenetic mechanisms of gene regulation have a profound role in normal development and disease processes. An integral part of this mechanism occurs through lysine acetylation of histone tails which are recognized by bromodomains. While the biological and structural characterization of many bromodomain containing proteins has advanced considerably, the therapeutic tractability of this protein family is only now becoming understood. This paper describes the discovery and molecular characterization of potent (nM) small molecule inhibitors that disrupt the function of the BET family of bromodomains (Brd2, Brd3, and Brd4). By using a combination of phenotypic screening, chemoproteomics, and biophysical studies, we have discovered that the protein-protein interactions between bromodomains and acetylated histones can be antagonized by selective small molecules that bind at the acetylated lysine recognition pocket. X-ray crystal structures of compounds bound into bromodomains of Brd2 and Brd4 elucidate the molecular interactions of binding and explain the precisely defined stereochemistry required for activity.