Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C65H87N14O19S2.Ga |
Molecular Weight | 1500.527 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 10 / 10 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[68Ga+3].CC(O)[C@H](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)C(O)=O
InChI
InChIKey=XBJPSVQFCQFGDC-WSCOIBMGSA-K
InChI=1S/C65H90N14O19S2.Ga/c1-38(80)56-64(96)73-51(63(95)75-57(39(2)81)65(97)98)37-100-99-36-50(72-59(91)47(28-40-10-4-3-5-11-40)68-52(83)32-76-20-22-77(33-53(84)85)24-26-79(35-55(88)89)27-25-78(23-21-76)34-54(86)87)62(94)70-48(29-41-15-17-43(82)18-16-41)60(92)71-49(30-42-31-67-45-13-7-6-12-44(42)45)61(93)69-46(58(90)74-56)14-8-9-19-66;/h3-7,10-13,15-18,31,38-39,46-51,56-57,67,80-82H,8-9,14,19-30,32-37,66H2,1-2H3,(H,68,83)(H,69,93)(H,70,94)(H,71,92)(H,72,91)(H,73,96)(H,74,90)(H,75,95)(H,84,85)(H,86,87)(H,88,89)(H,97,98);/q;+3/p-3/t38-,39-,46+,47-,48+,49-,50+,51+,56+,57+;/m1./s1/i;1-2
Molecular Formula | C65H87N14O19S2 |
Molecular Weight | 1432.599 |
Charge | -3 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 10 / 10 |
E/Z Centers | 1 |
Optical Activity | UNSPECIFIED |
Molecular Formula | Ga |
Molecular Weight | 67.928 |
Charge | 3 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Dotatate gallium (Ga-68) (Ga-DOTATATE ) under the brand name NETSPOT is indicated for use with positron emission tomography (PET) for localization of somatostatin receptor positive neuroendocrine tumors (NETs) in adult and pediatric patients. In addition, was shown, that Ga-DOTATATE can be used for detection the incidental medullary thyroid carcinoma. It binds to cells that express somatostatin receptors including malignant cells, which overexpress somatostatin subtype 2 receptors.
Originator
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: P30874 Gene ID: 6752.0 Gene Symbol: SSTR2 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/23297077 |
Conditions
Condition | Modality | Targets | Highest Phase | Product |
---|---|---|---|---|
Diagnostic | NETSPOT Approved UseNETSPOT, after radiolabeling with Ga 68, is a radioactive diagnostic agent indicated for use with positron emission tomography (PET) for localization of somatostatin receptor positive neuroendocrine tumors (NETs) in adult and pediatric patients Launch Date1.46465279E12 |
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Diagnostic | Unknown Approved UseUnknown |
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 01:46:34 UTC 2023
by
admin
on
Sat Dec 16 01:46:34 UTC 2023
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Record UNII |
9L17Y0H71P
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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FDA ORPHAN DRUG |
404813
Created by
admin on Sat Dec 16 01:46:34 UTC 2023 , Edited by admin on Sat Dec 16 01:46:34 UTC 2023
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NDF-RT |
N0000177914
Created by
admin on Sat Dec 16 01:46:34 UTC 2023 , Edited by admin on Sat Dec 16 01:46:34 UTC 2023
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Code System | Code | Type | Description | ||
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9L17Y0H71P
Created by
admin on Sat Dec 16 01:46:34 UTC 2023 , Edited by admin on Sat Dec 16 01:46:34 UTC 2023
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PRIMARY | |||
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100000175726
Created by
admin on Sat Dec 16 01:46:34 UTC 2023 , Edited by admin on Sat Dec 16 01:46:34 UTC 2023
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5156
Created by
admin on Sat Dec 16 01:46:34 UTC 2023 , Edited by admin on Sat Dec 16 01:46:34 UTC 2023
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9L17Y0H71P
Created by
admin on Sat Dec 16 01:46:34 UTC 2023 , Edited by admin on Sat Dec 16 01:46:34 UTC 2023
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C97661
Created by
admin on Sat Dec 16 01:46:34 UTC 2023 , Edited by admin on Sat Dec 16 01:46:34 UTC 2023
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Gallium Ga 68 Dotatate
Created by
admin on Sat Dec 16 01:46:34 UTC 2023 , Edited by admin on Sat Dec 16 01:46:34 UTC 2023
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131634491
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admin on Sat Dec 16 01:46:34 UTC 2023 , Edited by admin on Sat Dec 16 01:46:34 UTC 2023
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DB13925
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admin on Sat Dec 16 01:46:34 UTC 2023 , Edited by admin on Sat Dec 16 01:46:34 UTC 2023
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1027785-90-5
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admin on Sat Dec 16 01:46:34 UTC 2023 , Edited by admin on Sat Dec 16 01:46:34 UTC 2023
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N0000175869
Created by
admin on Sat Dec 16 01:46:34 UTC 2023 , Edited by admin on Sat Dec 16 01:46:34 UTC 2023
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PRIMARY | Positron Emitting Activity [MoA] | ||
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676679
Created by
admin on Sat Dec 16 01:46:34 UTC 2023 , Edited by admin on Sat Dec 16 01:46:34 UTC 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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TARGET->RADIOLIGAND |
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ACTIVE MOIETY |
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