662168-37-8

Basic information

• Product Name: 9-[2-(1,1-dimethylethoxy)-2-oxoethyl]-2,2-dimethyl-4-oxo-6,12-bis(phenylmethyl)-3-oxa-6,9,12-triazatetradecan-14-oic acid 1,1-dimethylethyl ester
• Synonyms: 9-[2-(1,1-dimethylethoxy)-2-oxoethyl]-2,2-dimethyl-4-oxo-6,12-bis(phenylmethyl)-3-oxa-6,9,12-triazatetradecan-14-oic acid 1,1-dimethylethyl ester
• CAS NO: 662168-37-8
• Molecular Weight: 625.849
• Mol File: 662168-37-8.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 9-[2-(1,1-dimethylethoxy)-2-oxoethyl]-2,2-dimethyl-4-oxo-6,12-bis(phenylmethyl)-3-oxa-6,9,12-triazatetradecan-14-oic acid 1,1-dimethylethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 9-[2-(1,1-dimethylethoxy)-2-oxoethyl]-2,2-dimethyl-4-oxo-6,12-bis(phenylmethyl)-3-oxa-6,9,12-triazatetradecan-14-oic acid 1,1-dimethylethyl ester(662168-37-8)
• EPA Substance Registry System: 9-[2-(1,1-dimethylethoxy)-2-oxoethyl]-2,2-dimethyl-4-oxo-6,12-bis(phenylmethyl)-3-oxa-6,9,12-triazatetradecan-14-oic acid 1,1-dimethylethyl ester(662168-37-8)

Safety Data

• Hazardous Substances Data: 662168-37-8(Hazardous Substances Data)

Upstream product

• 5292-43-3 bromoacetic acid tert-butyl ester 
• 179188-09-1 tert-butyl 2-(benzyl-(2-bromoethyl)amino)-acetate 
• 27532-96-3 glycine tert-butyl ester hydrochloride 
• 104-63-2 N-Benzylethanolamine 
• 168263-75-0 tert-butyl 2-(benzyl-(2-hydroxyethyl)amino)-acetate 
• 100-52-7 benzaldehyde 
• 17327-80-9 N¹-benzyl-N²-(2-(benzylamino)ethyl)ethane-1,2-diamine 
• 17327-82-1 N-(phenylmethyl)-N'-[2-[(phenylmethyl)amino]ethyl]-1,2-ethanediamine trihydrochloride 

Relevant articles and documents

H4octapa: An acyclic chelator for 111In radiopharmaceuticals

This preliminary investigation of the octadentate acyclic chelator H 4octapa (N4O4) with 111In/ 115In3+ has demonstrated it to be an improvement on the shortcomings of the current industry "gold standards" DOTA (N 4O4) and DTPA (N3O5). The ability of H4octapa to radiolabel quantitatively 111InCl3 at ambient temperature in 10 min with specific activities as high as 2.3 mCi/nmol (97.5% radiochemical yield) is presented. In vitro mouse serum stability assays have demonstrated the 111In complex of H 4octapa to have improved stability when compared to DOTA and DTPA over 24 h. Mouse biodistribution studies have shown that the radiometal complex [111In(octapa)]- has exceptionally high in vivo stability over 24 h with improved clearance and stability compared to [ 111In(DOTA)]-, demonstrated by lower uptake in the kidneys, liver, and spleen at 24 h. 1H/13C NMR studies of the [In(octapa)]- complex revealed a 7-coordinate solution structure, which forms a single isomer and exhibits no observable fluxional behavior at ambient temperature, an improvement to the multiple isomers formed by [In(DTPA)]2- and [In(DOTA)]- under the same conditions. Potentiometric titrations have determined the thermodynamic formation constant of the [In(octapa)]- complex to be log KML = 26.8(1). Through the same set of analyses, the [111/115In(decapa)] 2- complex was found to have nonoptimal stability, with H 5decapa (N5O5) being more suitable for larger metal ions due to its higher potential denticity (e.g., lanthanides and actinides). Our initial investigations have revealed the acyclic chelator H 4octapa to be a valuable alternative to the macrocycle DOTA for use with 111In, and a significant improvement to the acyclic chelator DTPA.

Direct access to terpyridine-containing polyazamacrocycles as photosensitizing ligands for Eu(III) luminescence in aqueous media

(Chemical Equation Presented) The synthesis of new 18-membered hexaazamacrocycles containing a functionalized 2,2′:6′,2″- terpyridine moiety as part of the cyclic backbone and three acetate pendant arms is described. The reported synthetic procedure is ba