1414168-27-6

Basic information

• Product Name: (R)-tri-tert-butyl 2,2',2-(10-(3-(benzyloxy)-2-(((benzyloxy)carbonyl)amino)-3-oxopropyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate
• Synonyms: (R)-tri-tert-butyl 2,2',2-(10-(3-(benzyloxy)-2-(((benzyloxy)carbonyl)amino)-3-oxopropyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate
• CAS NO: 1414168-27-6
• Molecular Weight: 826.043
• Mol File: 1414168-27-6.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: (R)-tri-tert-butyl 2,2',2-(10-(3-(benzyloxy)-2-(((benzyloxy)carbonyl)amino)-3-oxopropyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate(CAS DataBase Reference)
• NIST Chemistry Reference: (R)-tri-tert-butyl 2,2',2-(10-(3-(benzyloxy)-2-(((benzyloxy)carbonyl)amino)-3-oxopropyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate(1414168-27-6)
• EPA Substance Registry System: (R)-tri-tert-butyl 2,2',2-(10-(3-(benzyloxy)-2-(((benzyloxy)carbonyl)amino)-3-oxopropyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetate(1414168-27-6)

Safety Data

• Hazardous Substances Data: 1414168-27-6(Hazardous Substances Data)

Upstream product

• 1414168-11-8 (R)-benzyl 2-(((benzyloxy)carbonyl)amino)-3-((methylsulfonyl)oxy)propanoate 
• 294-90-6 1,4,7,10-tetraazacyclododecan 
• 5292-43-3 bromoacetic acid tert-butyl ester 
• 1414168-19-6 benzyl 2-(((benzyloxy)carbonyl)amino)-3-(1,4,7,10-tetraazacyclododecan-1-yl)propanoate 
• 53933-06-5 L-(benzyloxycarbonyl)amino serine benzyl ester 

Relevant articles and documents

PEPTIDIC STRUCTURES INCORPORATING AN AMINO ACID METAL COMPLEX AND APPLICATIONS IN MAGNETIC RESONANCE IMAGING

A method for increasing the relaxivity of a contrast agent having a metal ion complexed to a chelator is disclosed. The metal ion complex is tethered to the remainder of the molecule by at least two points of attachment such that local motion is limited and higher relaxivity can be achieved. In one non-limiting example version of the invention, the alanine analogue of Gd(DOTA), Gd(DOTAIa) wherein Gd is gadolinium and DOTA is 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid was integrated into polypeptide structures. This resulted in very rigid attachment of the metal ion complex to the peptide backbone. Rigid molecular structures provide fewer degrees of rotational freedom, resulting in greater control over the rotational dynamics and resultant relaxivity. In the case of Gd(DOTAIa), the metal complex is tethered to the peptide via the amino acid side chain to the DOTA moiety and via a dative bond from an amide oxygen to the Gd(lll) ion.