1422531-71-2

Basic information

• Product Name: 5-(4-chlorophenoxy)acenaphthenequinone
• Synonyms: 5-(4-chlorophenoxy)acenaphthenequinone
• CAS NO: 1422531-71-2
• Molecular Weight: 308.721
• Mol File: 1422531-71-2.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 5-(4-chlorophenoxy)acenaphthenequinone(CAS DataBase Reference)
• NIST Chemistry Reference: 5-(4-chlorophenoxy)acenaphthenequinone(1422531-71-2)
• EPA Substance Registry System: 5-(4-chlorophenoxy)acenaphthenequinone(1422531-71-2)

Safety Data

• Hazardous Substances Data: 1422531-71-2(Hazardous Substances Data)

Upstream product

• 26254-35-3 5-bromoacenaphthylene-1,2-dione 
• 106-48-9 4-chloro-phenol 
• 82-86-0 acenaphthene quinone 

Relevant articles and documents

Novel soluble myeloid cell leukemia sequence 1 (Mcl-1) inhibitor (E,E)-2-(benzylaminocarbonyl)-3-styrylacrylonitrile (4g) developed using a fragment-based approach

Based on a known nanomolar Bcl-2 homology domain 3 (BH3) mimetic 3-thiomorpholin-8-oxo-8H-acenaphtho[1,2-b] pyrrole-9-carbonitrile (S1, MW: 331), we applied a fragment-based approach to obtain BH3 mimetics with improved affinity and improved solubility in a water-ethanol (9:1) cosolvent. After the deconstruction of 1 (S1), we obtained fragment cyanoacetamide (4), which was determined to be a ligand efficiency (LE) hot part. After a rational optimization through fragment evolution beginning with fragment 4, a smaller Mcl-1 inhibitor (E,E)-2-(benzylaminocarbonyl)-3-styrylacrylonitrile (4g, MW: 288) with a 6-fold increase in affinity compared to 1 was obtained, as predicted by our optimization curve and identified by Mcl-1 protein nuclear magnetic resonance (NMR).