1017803-45-0

Basic information

• Product Name: 8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-3-[4-(N-tert-butoxycarbonyl)aminophenethyl]-1,3,8-triazaspiro[4.5]decan-4-one
• Synonyms: 8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-3-[4-(N-tert-butoxycarbonyl)aminophenethyl]-1,3,8-triazaspiro[4.5]decan-4-one
• CAS NO: 1017803-45-0
• Molecular Weight: 614.76
• Mol File: 1017803-45-0.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: 8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-3-[4-(N-tert-butoxycarbonyl)aminophenethyl]-1,3,8-triazaspiro[4.5]decan-4-one(CAS DataBase Reference)
• NIST Chemistry Reference: 8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-3-[4-(N-tert-butoxycarbonyl)aminophenethyl]-1,3,8-triazaspiro[4.5]decan-4-one(1017803-45-0)
• EPA Substance Registry System: 8-[4-(4-fluorophenyl)-4-oxobutyl]-1-phenyl-3-[4-(N-tert-butoxycarbonyl)aminophenethyl]-1,3,8-triazaspiro[4.5]decan-4-one(1017803-45-0)

Safety Data

• Hazardous Substances Data: 1017803-45-0(Hazardous Substances Data)

Upstream product

• 24424-99-5 di-tert-butyl dicarbonate 
• 104060-23-3 tert-butyl N-[4-(2-hydroxyethyl)phenyl]carbamate 
• 3874-54-2 4-(4-fluorophenyl)-4-oxo-n-butyl chloride 
• 1021-25-6 1-Phenyl-1,3,8-triaza-spiro[4.5]decan-4-one 
• 104-10-9 2-(4'-aminophenyl)ethyl alcohol 
• 218943-57-8 1-(2-bromoethyl)(4-t-butoxycarbonylamino)benzene 
• 749-02-0 spiperone 

Downstream Products

• 93801-18-4 [125I]-N-(p-Aminophenethyl)spiroperidol 

Relevant articles and documents

Design of a True Bivalent Ligand with Picomolar Binding Affinity for a G Protein-Coupled Receptor Homodimer

Bivalent ligands have emerged as chemical tools to study G protein-coupled receptor dimers. Using a combination of computational, chemical, and biochemical tools, here we describe the design of bivalent ligand 13 with high affinity (KDB1 = 21 pM) for the dopamine D2 receptor (D2R) homodimer. Bivalent ligand 13 enhances the binding affinity relative to monovalent compound 15 by 37-fold, indicating simultaneous binding at both protomers. Using synthetic peptides with amino acid sequences of transmembrane (TM) domains of D2R, we provide evidence that TM6 forms the interface of the homodimer. Notably, the disturber peptide TAT-TM6 decreased the binding of bivalent ligand 13 by 52-fold and had no effect on monovalent compound 15, confirming the D2R homodimer through TM6 ex vivo. In conclusion, by using a versatile multivalent chemical platform, we have developed a precise strategy to generate a true bivalent ligand that simultaneously targets both orthosteric sites of the D2R homodimer.