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Details

Stereochemistry ABSOLUTE
Molecular Formula C44H59N6O17.Ga
Molecular Weight 1011.8972
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GALLIUM GA-68 GOZETOTIDE

SMILES

[68Ga+3].OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)CCCCCNC(=O)CCC1=CC=C(O)C(CN(CCN(CC([O-])=O)CC2=CC(CCC([O-])=O)=CC=C2O)CC([O-])=O)=C1)C(O)=O)C(O)=O

InChI

InChIKey=AEBYHKKMCWUMKX-LNTZDJBBSA-K
InChI=1S/C44H62N6O17.Ga/c51-34-13-8-28(22-30(34)24-49(26-40(59)60)20-21-50(27-41(61)62)25-31-23-29(9-14-35(31)52)11-16-38(55)56)10-15-37(54)46-18-4-1-2-7-36(53)45-19-5-3-6-32(42(63)64)47-44(67)48-33(43(65)66)12-17-39(57)58;/h8-9,13-14,22-23,32-33,51-52H,1-7,10-12,15-21,24-27H2,(H,45,53)(H,46,54)(H,55,56)(H,57,58)(H,59,60)(H,61,62)(H,63,64)(H,65,66)(H2,47,48,67);/q;+3/p-3/t32-,33-;/m0./s1/i;1-2

HIDE SMILES / InChI

Molecular Formula Ga
Molecular Weight 67.928
Charge 3
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C44H59N6O17
Molecular Weight 943.9693
Charge -3
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Description

Prostamedix is a 68Ga-labeled ligand of the prostate-specific membrane antigen (PSMA) for Prostate Cancer PET imaging. Because of the increased expression of PSMA in Prostate Cancer and its metastases, Prostamedix was reported to exhibit a favorable lesion-to-background ratio with high detection rates. Further studies evaluating Prostamedix showed substantially higher detection rates in patients with recurrent PC than reported for other imaging modalities, especially at low PSA values. The chelator HBED-CC (N,N'-bis-[2-hydroxy-5-(carboxyethyl)benzyl]ethylenediamine-N,N'-diacetic acid), represents a hitherto rarely used acyclic complexing agent especially allowing efficient radiolabelling with 68Ga even at ambient temperature. By combining HBED-CC with the PSMA inhibitor Glu-urea-Lys, a favorable aromatic part is introduced into the radiotracer which was found to be a necessary requirement for sustainable interaction with the PSMA receptor, putatively with the accessory hydrophobic pocket of the PSMA

Approval Year

PubMed

Sample Use Guides

In Vivo Use Guide
1.8–2.2 MBq per kg of body weight
Route of Administration: Intravenous
Substance Class Chemical
Record UNII
ZJ0EKR6M10
Record Status Validated (UNII)
Record Version