EDOTREOTIDE GALLIUM GA-68

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C65H89N14O18S2.Ga
Molecular Weight	1486.543
Optical Activity	UNSPECIFIED
Defined Stereocenters	10 / 10
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[68Ga+3].C[C@@H](O)[C@@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)CN3CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC3)C(=O)N[C@@H](CC4=CC=C(O)C=C4)C(=O)N[C@H](CC5=CNC6=C5C=CC=C6)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1

InChI

InChIKey=PZBPHYLKIMOZPR-FIYGWYQWSA-K

InChI=1S/C65H92N14O18S2.Ga/c1-39(81)51(36-80)72-64(96)53-38-99-98-37-52(73-60(92)48(28-41-10-4-3-5-11-41)68-54(84)32-76-20-22-77(33-55(85)86)24-26-79(35-57(89)90)27-25-78(23-21-76)34-56(87)88)63(95)70-49(29-42-15-17-44(83)18-16-42)61(93)71-50(30-43-31-67-46-13-7-6-12-45(43)46)62(94)69-47(14-8-9-19-66)59(91)75-58(40(2)82)65(97)74-53;/h3-7,10-13,15-18,31,39-40,47-53,58,67,80-83H,8-9,14,19-30,32-38,66H2,1-2H3,(H,68,84)(H,69,94)(H,70,95)(H,71,93)(H,72,96)(H,73,92)(H,74,97)(H,75,91)(H,85,86)(H,87,88)(H,89,90);/q;+3/p-3/t39-,40-,47+,48-,49+,50-,51-,52+,53+,58+;/m1./s1/i;1-2

HIDE SMILES / InChI

Description
Sources: https://www.cancer.gov/publications/dictionaries/cancer-drug/def/gallium-ga-68-edotreotide | https://www.ema.europa.eu/en/medicines/human/orphan-designations/eu3151450 | https://www.ncbi.nlm.nih.gov/pubmed/23522791 | https://www.samnordic.se/wp-content/uploads/2018/05/SOMAKIT-Monograph.pdf

Gallium edotreotide Ga-68 is a radioconjugate consisting of the octreotide derivative edotreotide labeled with gallium 68 (Ga-68). Similar to octreotide, gallium Ga 68-edotreotide binds to somatostatin receptors (SSTRs), especially type 2 receptors, present on the cell membranes of many types of neuroendocrine tumor cells and their metastases, thereby allowing for imaging of SSTR-expressing cells with positron emission tomography (PET). Gallium edotreotide Ga-68 has been authorized in the EU as SomaKit for the diagnosis of gastro-entero-pancreatic neuroendocrine tumors. It was investigated in clinical trials for imaging of brain tumors, pituitary tumors and neuroendocrine tumors of various origin.

Approval Year

Name

Type

Language

EDOTREOTIDE GALLIUM GA-68

Common Name

English

DOTA-TOC GALLIUM GA-68

Common Name

English

GALLIUM (68GA) EDOTREOTIDE

Common Name

English

GALLIUM-68GA, (N-(2-(4,7-BIS((CARBOXY-.KAPPA.O)METHYL)-10-(CARBOXYMETHYL)-1,4,7,10-TETRAAZACYCLODODEC-1-YL-.KAPPA.N1,.KAPPA.N4,.KAPPA.N7,.KAPPA.N10)ACETYL)-D-PHENYLALANYL-L-CYSTEINYL-L-TYROSYL-D-TRYPTOPHYL-L-LYSYL-L-THREONYL-N-((1R,2R)-2-HYDROXY-1-(HYDRO

Systematic Name

English

68GA-DOTATOC

Common Name

English

GALLIUM GA 68-EDOTREOTIDE

Common Name

English

SOMAKIT TOC

Brand Name

English

NETSPOT

Common Name

English

GALLIUM GA-68 EDOTREOTIDE

Common Name

English

GALLATE(3-)-68GA, (N-(2-(7-(1-CARBOXY-4-((3-(8,9-DIHYDRO-8-(3-((6-(2-(2-(3-(2-(1,3-DIHYDRO-3,3-DIMETHYL-5-SULFO-1-(4-SULFOBUTYL)-2H-INDOL-2-YLIDENE)ETHYLIDENE)-2-(4-SULFOPHENOXY)-1-CYCLOHEXEN-1-YL)ETHENYL)-3,3-DIMETHYL-5-SULFO-3H-INDOLIUM-1-YL)-1-OXOHEXY

Systematic Name

English

EDOTREOTIDE GALLIUM GA 68

Common Name

English

GA 68 DOTATOC

Brand Name

English

GALLIUM DOTATOC GA-68 [ORANGE BOOK]

Common Name

English

(N-(2-(4,7-BIS((CARBOXY-.KAPPA.O)METHYL)-10-(CARBOXYMETHYL)-1,4,7,10-TETRAAZACYCLODODEC-1-YL-.KAPPA.N1,.KAPPA.N4,.KAPPA.N7,.KAPPA.N10)ACETYL)-D-PHENYLALANYL-L-CYSTEINYL-L-TYROSYL-D-TRYPTOPHYL-L-LYSYL-L-THREONYL-N-((1R,2R)-2-HYDROXY-1-(HYDROXYMETHYL)PROPY

Systematic Name

English

68GA-DOTA-TYR3-OCTREOTIDE

Common Name

English

GALLIUM EDOTREOTIDE GA-68

Common Name

English

Gallium (68Ga) edotreotide [WHO-DD]

Common Name

English

GALLIUM GA 68-DOTATOC

Common Name

English

GA-68 DOTA-TYR3-OCTREOTIDE

Common Name

English

GALLIUM DOTATOC GA 68

Brand Name

English

GA-68-DOTATOC [MI]

Common Name

English

GALLIUM DOTATOC GA-68

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C2124