Abstract
Addition of a benzyl substituent to the macrocyclic ring of DOTA has a substantial impact on the conformational ring flipping motion of the macrocycle in the resulting LnDOTA complexes. The p-NO2-benzyl substituent in the Ln(p-NO2-Bn-DOTA)- complexes lies in an equatorial position and effectively "locks" the conformation of the ring into the δδδδ configuration. The presence of the p-NO 2-benzyl group also increases the population of the square antiprismatic (SAP) coordination isomer for all Ln(p-NO 2-Bn-DOTA)- complexes relative to that seen for the respective LnDOTA- complexes. Despite this increase in SAP isomer population, the rate of water exchange in these complexes remains comparatively fast. The kinetic and thermodynamic stabilities of the Ln(p-NO 2-Bn-DOTA)- complexes are also slightly lower than the corresponding LnDOTA- complexes but appear to be sufficiently high for in vivo use.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 2845-2851 |
| Number of pages | 7 |
| Journal | Inorganic Chemistry |
| Volume | 43 |
| Issue number | 9 |
| DOIs | |
| State | Published - May 3 2004 |
Fingerprint
ASJC Scopus subject areas
- Inorganic Chemistry
Cite this
Solution Dynamics and Stability of Lanthanide(III) (S)-2-(p-Nitrobenzyl)DOTA Complexes. / Woods, Mark; Kovacs, Zoltan; Kiraly, Robert; Brücher, Ernö; Zhang, Shanrong; Sherry, A. Dean.
In: Inorganic Chemistry, Vol. 43, No. 9, 03.05.2004, p. 2845-2851.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Solution Dynamics and Stability of Lanthanide(III) (S)-2-(p-Nitrobenzyl)DOTA Complexes
AU - Woods, Mark
AU - Kovacs, Zoltan
AU - Kiraly, Robert
AU - Brücher, Ernö
AU - Zhang, Shanrong
AU - Sherry, A. Dean
PY - 2004/5/3
Y1 - 2004/5/3
N2 - Addition of a benzyl substituent to the macrocyclic ring of DOTA has a substantial impact on the conformational ring flipping motion of the macrocycle in the resulting LnDOTA complexes. The p-NO2-benzyl substituent in the Ln(p-NO2-Bn-DOTA)- complexes lies in an equatorial position and effectively "locks" the conformation of the ring into the δδδδ configuration. The presence of the p-NO 2-benzyl group also increases the population of the square antiprismatic (SAP) coordination isomer for all Ln(p-NO 2-Bn-DOTA)- complexes relative to that seen for the respective LnDOTA- complexes. Despite this increase in SAP isomer population, the rate of water exchange in these complexes remains comparatively fast. The kinetic and thermodynamic stabilities of the Ln(p-NO 2-Bn-DOTA)- complexes are also slightly lower than the corresponding LnDOTA- complexes but appear to be sufficiently high for in vivo use.
AB - Addition of a benzyl substituent to the macrocyclic ring of DOTA has a substantial impact on the conformational ring flipping motion of the macrocycle in the resulting LnDOTA complexes. The p-NO2-benzyl substituent in the Ln(p-NO2-Bn-DOTA)- complexes lies in an equatorial position and effectively "locks" the conformation of the ring into the δδδδ configuration. The presence of the p-NO 2-benzyl group also increases the population of the square antiprismatic (SAP) coordination isomer for all Ln(p-NO 2-Bn-DOTA)- complexes relative to that seen for the respective LnDOTA- complexes. Despite this increase in SAP isomer population, the rate of water exchange in these complexes remains comparatively fast. The kinetic and thermodynamic stabilities of the Ln(p-NO 2-Bn-DOTA)- complexes are also slightly lower than the corresponding LnDOTA- complexes but appear to be sufficiently high for in vivo use.
UR - http://www.scopus.com/inward/record.url?scp=2142754474&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=2142754474&partnerID=8YFLogxK
U2 - 10.1021/ic0353007
DO - 10.1021/ic0353007
M3 - Article
C2 - 15106971
AN - SCOPUS:2142754474
VL - 43
SP - 2845
EP - 2851
JO - Inorganic Chemistry
JF - Inorganic Chemistry
SN - 0020-1669
IS - 9
ER -