1453205-07-6

Basic information

• Product Name: C₂₅H₃₀N₂O₄
• CAS NO: 1453205-07-6
• Molecular Weight: 422.524
• Mol File: 1453205-07-6.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: C₂₅H₃₀N₂O₄(CAS DataBase Reference)
• NIST Chemistry Reference: C₂₅H₃₀N₂O₄(1453205-07-6)
• EPA Substance Registry System: C₂₅H₃₀N₂O₄(1453205-07-6)

Safety Data

• Hazardous Substances Data: 1453205-07-6(Hazardous Substances Data)

Upstream product

• 84246-49-1 2(S)-2-(benzyloxycarbonylamino)-6-hydroxyhexanoic acid, benzyl ester 
• 102922-72-5 (S)-2-(((benzyloxy)carbonyl)amino)-6-hydroxyhexanoic acid 
• 2212-75-1 N₂-[(benzyloxy)carbonyl]-L-lysine 
• 35161-71-8 methyl(propargyl)amine 
• 169059-74-9 2(S)-2-(benzyloxycarbonylamino)-6-iodocaproic acid benzyl ester 

Relevant articles and documents

Nonpeptidic propargylamines as inhibitors of lysine specific demethylase 1 (LSD1) with cellular activity

Lysine demethylases play an important role in epigenetic regulation and thus in the development of diseases like cancer or neurodegenerative disorders. As the lysine specific demethylase 1 (LSD1/KDM1) has been strongly connected to androgen and estrogen dependent gene expression, it serves as a promising target for the therapy of hormone dependent cancer. Here, we report on the discovery of new small molecule inhibitors of LSD1 containing a propargylamine warhead, starting out from lysine containing substrate analogues. On the basis of these substrate mimicking inhibitors, we were able to increase potency by a combination of similarity-based virtual screening and subsequent synthetic optimization resulting in more druglike LSD1 inhibitors that led to histone hypermethylation in breast cancer cells.