1415088-47-9

Basic information

• Product Name: 1,4,7-tris(carboxymethyl)-10-[N-(5-trityl-thiopentyl)-carbamoyl]-1,4,7,10-tetraazacyclododecane
• CAS NO: 1415088-47-9
• Molecular Weight: 747.956
• Mol File: 1415088-47-9.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 1,4,7-tris(carboxymethyl)-10-[N-(5-trityl-thiopentyl)-carbamoyl]-1,4,7,10-tetraazacyclododecane(CAS DataBase Reference)
• NIST Chemistry Reference: 1,4,7-tris(carboxymethyl)-10-[N-(5-trityl-thiopentyl)-carbamoyl]-1,4,7,10-tetraazacyclododecane(1415088-47-9)
• EPA Substance Registry System: 1,4,7-tris(carboxymethyl)-10-[N-(5-trityl-thiopentyl)-carbamoyl]-1,4,7,10-tetraazacyclododecane(1415088-47-9)

Safety Data

• Hazardous Substances Data: 1415088-47-9(Hazardous Substances Data)

Upstream product

• 1415088-28-6 2-(5-(tritylthio)pentyl)isoindoline-1,3-dione 
• 954-81-4 N-(5-bromopentyl)phthalimide 
• 60239-18-1 1,4,7,10-tetrakis(carboxymethyl)-1,4,7,10-tetraazacyclododecane 
• 1415088-36-6 5-(tritylthio)pentan-1-amine 
• 124098-81-3 C₂₁H₃₆N₄O₁₀ 
• 3695-77-0 triphenylmethanethiol 

Downstream Products

• 1415096-64-8 {1,4,7-tris(carboxymethyl)-10-[N-(5-tritylthiopentyl)-carbamoyl]-1,4,7,10-tetraazacyclododecanato}gadolinium 

Relevant articles and documents

Redox-active magnetic resonance imaging contrast agents: Studies with thiol-bearing 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetracetic acid derivatives

The synthesis and structure-activity relationships of a homologous series of 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid gadolinium(III) complexes bearing thiol-terminated alkyl side chains from three to nine carbons in length are reported. The observed binding with human serum albumin (HSA) of the compounds having C-3 through C-7 side chain lengths was inhibited by homocysteine in a manner consistent with single-site binding. The observed binding with HSA of the compounds having C-8 and C-9 side chain lengths was only partly inhibited by homocysteine, consistent with multisite binding. The binding affinity of the C-7 compound could be related to the HSA oxidation state. 2D 1H-1H NMR TOCSY provided evidence of covalent binding of the europium analog of the C-6 compound to HSA-Cys34. The longitudinal water-proton MRI relaxivities of the gadolinium complexes at 7 T increased upon binding to HSA. On the basis of these results, the C-6 and C-7 compounds were identified as promising redox-sensitive MRI contrast agents.