Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C65H89N14O18S2.Sc |
| Molecular Weight | 1463.571 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 10 / 10 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
[Sc+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=RESVCZWGLMQCJU-LSUKEIEBSA-K
InChI=1S/C65H92N14O18S2.Sc/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
| Molecular Formula | C65H89N14O18S2 |
| Molecular Weight | 1418.615 |
| Charge | -3 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 10 / 10 |
| E/Z Centers | 1 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | Sc |
| Molecular Weight | 44.9559 |
| Charge | 3 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 12:11:20 UTC 2023
by
admin
on
Sat Dec 16 12:11:20 UTC 2023
|
| Record UNII |
X6656MXX11
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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131842185
Created by
admin on Sat Dec 16 12:11:20 UTC 2023 , Edited by admin on Sat Dec 16 12:11:20 UTC 2023
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300000013047
Created by
admin on Sat Dec 16 12:11:20 UTC 2023 , Edited by admin on Sat Dec 16 12:11:20 UTC 2023
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X6656MXX11
Created by
admin on Sat Dec 16 12:11:20 UTC 2023 , Edited by admin on Sat Dec 16 12:11:20 UTC 2023
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PRIMARY |
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PARENT -> SALT/SOLVATE |
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NON-LABELED -> LABELED |
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ACTIVE MOIETY |
44Sc (t1/2 = 3.97 h, E.BETA.+ 1475.4 keV, 94.34%) is a highly promising .BETA.+ -emitter for PET/CT imaging of NET. It can be produced centrally and delivered to remote PET centers >1000 km away. 44Sc-DOTATOC is safe for human use, exhibits very high target-to-non-target ratios, and late imaging (up to 24 h p.i.) is possible. 44Sc-DOTATOC is a highly sensitive tracer and at least equal to 68Ga-DOTATOC, if not better. It is a real THERANOSTIC radionuclide as pre-therapeutic dosimetry for PRRT can be realized, while radionuclide therapy might be achieved using the .BETA.-emitting 47Sc.
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