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MedKoo Cat#: 596984 | Name: Edotreotide
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Description:

WARNING: This product is for research use only, not for human or veterinary use.

Edotreotide, also known as DOTA-TOC, is used in the Diagnosis and Staging of Tumors Expressing Somatostatin Receptors. It is an Indicator and Reagent.

Chemical Structure

Edotreotide
Edotreotide
CAS#204318-14-9

Theoretical Analysis

MedKoo Cat#: 596984

Name: Edotreotide

CAS#: 204318-14-9

Chemical Formula: C65H92N14O18S2

Exact Mass: 1420.6155

Molecular Weight: 1421.65

Elemental Analysis: C, 54.92; H, 6.52; N, 13.79; O, 20.26; S, 4.51

Price and Availability

Size Price Availability Quantity
25mg USD 750.00 2 Weeks
50mg USD 1,350.00 2 Weeks
100mg USD 2,350.00 2 Weeks
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Related CAS #
459831-08-4 (G68) 204318-14-9
Synonym
Edotreotide; SMT-487; SMT 487; SMT487; DOTA-d-Phe1-Tyr3-octreotide; DOTA-TOC; DOTA0-Tyr3-octreotide; DOTATOC; [Tyr3]-octreotide; DOTA-TOC; DOTA-tyr(3)-octreotide; DOTATOC;
IUPAC/Chemical Name
2,2',2''-(10-(2-(((R)-1-(((4R,7S,10S,13R,16S,19R)-13-((1H-indol-3-yl)methyl)-10-(4-aminobutyl)-4-(((2R,3R)-1,3-dihydroxybutan-2-yl)carbamoyl)-16-(4-hydroxybenzyl)-7-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl)amino)-1-oxo-3-phenylpropan-2-yl)amino)-2-oxoethyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triyl)triacetic acid
InChi Key
RZHKDBRREKOZEW-AAXZNHDCSA-N
InChi Code
1S/C65H92N14O18S2/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)/t39-,40-,47+,48-,49+,50-,51-,52+,53+,58+/m1/s1
SMILES Code
O=C(N[C@H](Cc1ccccc1)C(N[C@@H]2C(N[C@@H](Cc3ccc(O)cc3)C(N[C@H](Cc4c5ccccc5[nH]c4)C(N[C@@H](CCCCN)C(N[C@@H]([C@@H](C)O)C(N[C@@H](CSSC2)C(N[C@@H]([C@H](O)C)CO)=O)=O)=O)=O)=O)=O)=O)CN(CC6)CCN(CC(O)=O)CCN(CC(O)=O)CCN6CC(O)=O
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>2 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 1,421.65 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
1: Graf J, Pape UF, Jann H, Denecke T, Arsenic R, Brenner W, Pavel M, Prasad V. Prognostic Significance of Somatostatin Receptor Heterogeneity in Progressive Neuroendocrine Tumor Treated with Lu-177 DOTATOC or Lu-177 DOTATATE. Eur J Nucl Med Mol Imaging. 2019 Aug 14. doi: 10.1007/s00259-019-04439-9. [Epub ahead of print] PubMed PMID: 31414209. 2: Zurek Munk-Madsen M, Zakarian K, Sandor Oturai P, Hansen CP, Federspiel B, Fallentin E, Linno Willemoe G. Intrapancreatic accessory spleen mimicking malignant tumor: three case reports. Acta Radiol Open. 2019 Jun 28;8(6):2058460119859347. doi: 10.1177/2058460119859347. eCollection 2019 Jun. PubMed PMID: 31285851; PubMed Central PMCID: PMC6600498. 3: Vinik A, Perry RR, Hughes MS, Feliberti E. Multiple Endocrine Neoplasia Type 1. 2017 Oct 7. In: Feingold KR, Anawalt B, Boyce A, Chrousos G, Dungan K, Grossman A, Hershman JM, Kaltsas G, Koch C, Kopp P, Korbonits M, McLachlan R, Morley JE, New M, Perreault L, Purnell J, Rebar R, Singer F, Trence DL, Vinik A, Wilson DP, editors. Endotext [Internet]. South Dartmouth (MA): MDText.com, Inc.; 2000-. Available from http://www.ncbi.nlm.nih.gov/books/NBK481897/ PubMed PMID: 29465925. 4: Albers MB, Librizzi D, Lopez CL, Manoharan J, Apitzsch JC, Slater EP, Bollmann C, Kann PH, Bartsch DK. Limited Value of Ga-68-DOTATOC-PET-CT in Routine Screening of Patients with Multiple Endocrine Neoplasia Type 1. World J Surg. 2017 Jun;41(6):1521-1527. doi: 10.1007/s00268-017-3907-9. PubMed PMID: 28138732. 5: Maybody M, Grewal RK, Healey JH, Antonescu CR, Fanchon L, Hwang S, Carrasquillo JA, Kirov A, Farooki A. Ga-68 DOTATOC PET/CT-Guided Biopsy and Cryoablation with Autoradiography of Biopsy Specimen for Treatment of Tumor-Induced Osteomalacia. Cardiovasc Intervent Radiol. 2016 Sep;39(9):1352-7. doi: 10.1007/s00270-016-1350-1. Epub 2016 May 5. PubMed PMID: 27150801; PubMed Central PMCID: PMC5483397. 6: Prasad V, Steffen IG, Pavel M, Denecke T, Tischer E, Apostolopoulou K, Pascher A, Arsenic R, Brenner W. Somatostatin receptor PET/CT in restaging of typical and atypical lung carcinoids. EJNMMI Res. 2015 Dec;5(1):53. doi: 10.1186/s13550-015-0130-2. Epub 2015 Oct 12. PubMed PMID: 26458908; PubMed Central PMCID: PMC4602019. 7: Schreiter NF, Bartels AM, Froeling V, Steffen I, Pape UF, Beck A, Hamm B, Brenner W, Röttgen R. Searching for primaries in patients with neuroendocrine tumors (NET) of unknown primary and clinically suspected NET: Evaluation of Ga-68 DOTATOC PET/CT and In-111 DTPA octreotide SPECT/CT. Radiol Oncol. 2014 Nov 5;48(4):339-47. doi: 10.2478/raon-2014-0018. eCollection 2014 Dec. PubMed PMID: 25435846; PubMed Central PMCID: PMC4230553. 8: Karger S, Wiesner T, Kersting A, Braun M, Ebert T, Wurst U, Kratzsch J, Stumvoll M, Fasshauer M. Increased chromogranin a and carcinoid syndrome-like symptoms in a patient treated with duloxetine. Endocr Pract. 2014 Nov;20(11):e215-8. doi: 10.4158/EP14162.CR. PubMed PMID: 25100382. 9: Schreiter NF, Maurer M, Pape UF, Hamm B, Brenner W, Froeling V. Detection of neuroendocrine tumours in the small intestines using contrast-enhanced multiphase Ga-68 DOTATOC PET/CT: the potential role of arterial hyperperfusion. Radiol Oncol. 2014 Apr 25;48(2):120-6. doi: 10.2478/raon-2014-0012. eCollection 2014 Jun. PubMed PMID: 24991201; PubMed Central PMCID: PMC4078030. 10: Eppard E, Loktionova NS, Rösch F. ⁶⁸Ge content quality control of ⁶⁸Ge/⁶⁸Ga-generator eluates and ⁶⁸Ga radiopharmaceuticals--a protocol for determining the ⁶⁸Ge content using thin-layer chromatography. Appl Radiat Isot. 2014 Sep;91:92-6. doi: 10.1016/j.apradiso.2014.05.011. Epub 2014 May 24. PubMed PMID: 24922553. 11: Brogsitter C, Zöphel K, Wunderlich G, Kämmerer E, Stein A, Kotzerke J. Comparison between F-18 fluorodeoxyglucose and Ga-68 DOTATOC in metastasized melanoma. Nucl Med Commun. 2013 Jan;34(1):47-9. doi: 10.1097/MNM.0b013e32835ae4ed. PubMed PMID: 23111377. 12: Froeling V, Elgeti F, Maurer MH, Scheurig-Muenkler C, Beck A, Kroencke TJ, Pape UF, Hamm B, Brenner W, Schreiter NF. Impact of Ga-68 DOTATOC PET/CT on the diagnosis and treatment of patients with multiple endocrine neoplasia. Ann Nucl Med. 2012 Nov;26(9):738-43. doi: 10.1007/s12149-012-0634-z. Epub 2012 Aug 4. PubMed PMID: 22865406. 13: Schreiter NF, Nogami M, Steffen I, Pape UF, Hamm B, Brenner W, Röttgen R. Evaluation of the potential of PET-MRI fusion for detection of liver metastases in patients with neuroendocrine tumours. Eur Radiol. 2012 Feb;22(2):458-67. doi: 10.1007/s00330-011-2266-4. Epub 2011 Sep 9. PubMed PMID: 21904802. 14: Buck AK, Herrmann K, Eckel F, Beer AJ. Pancreatic and hepatobiliary cancers. Methods Mol Biol. 2011;727:243-64. doi: 10.1007/978-1-61779-062-1_14. PubMed PMID: 21331938. 15: Lincke T, Orschekowski G, Singer J, Sabri O, Paschke R. Increased gallium-68 DOTATOC uptake in normal thyroid glands. Horm Metab Res. 2011 Apr;43(4):282-6. doi: 10.1055/s-0030-1270522. Epub 2011 Jan 24. PubMed PMID: 21264797. 16: Versari A, Camellini L, Carlinfante G, Frasoldati A, Nicoli F, Grassi E, Gallo C, Giunta FP, Fraternali A, Salvo D, Asti M, Azzolini F, Iori V, Sassatelli R. Ga-68 DOTATOC PET, endoscopic ultrasonography, and multidetector CT in the diagnosis of duodenopancreatic neuroendocrine tumors: a single-centre retrospective study. Clin Nucl Med. 2010 May;35(5):321-8. doi: 10.1097/RLU.0b013e3181d6677c. PubMed PMID: 20395703. 17: Singer J, Werner F, Koch CA, Bartels M, Aigner T, Lincke T, Fasshauer M, Paschke R. Ectopic Cushing's syndrome caused by a well differentiated ACTH-secreting neuroendocrine carcinoma of the ileum. Exp Clin Endocrinol Diabetes. 2010 Aug;118(8):524-9. doi: 10.1055/s-0029-1243634. Epub 2010 Feb 16. PubMed PMID: 20162505. 18: Hartmann H, Zöphel K, Freudenberg R, Oehme L, Andreeff M, Wunderlich G, Eisenhofer G, Kotzerke J. [Radiation exposure of patients during 68Ga-DOTATOC PET/CT examinations]. Nuklearmedizin. 2009;48(5):201-7. doi: 10.3413/nukmed-0214. Epub 2009 Jul 28. German. PubMed PMID: 19639164. 19: Luboldt W, Zöphel K, Wunderlich G, Abramyuk A, Luboldt HJ, Kotzerke J. Visualization of somatostatin receptors in prostate cancer and its bone metastases with Ga-68-DOTATOC PET/CT. Mol Imaging Biol. 2010 Jan-Feb;12(1):78-84. doi: 10.1007/s11307-009-0230-3. Epub 2009 May 7. PubMed PMID: 19421819. 20: Lincke T, Singer J, Kluge R, Sabri O, Paschke R. Relative quantification of indium-111 pentetreotide and gallium-68 DOTATOC uptake in the thyroid gland and association with thyroid pathologies. Thyroid. 2009 Apr;19(4):381-9. doi: 10.1089/thy.2008.0389. PubMed PMID: 19355828.