| Identification | Back Directory | [Name]
DOTA | [CAS]
60239-18-1 | [Synonyms]
DOTA
NSC 681107
TETRAXETAN
DOTA(M-140)
TetraxetanuM
Tetraxetan/radical
Tetraxetanum (DOTA)
TETRAAZA-12-CROWN-4-1,4,7,10-TETRAACETIC ACID
1,4,7,10-TETRAAZACYCLODODECANE-1,4,7,10-TETRAACETIC ACID
1,4,7,10-Tetraazacyclododecan-N,N',N,N'-tetraacetic acid
4,7,10-Tetraazacyclododecane-N,N',N'',N'''-tetraacetic acid
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetrakisacetic acid
1,4,7,10-TETRAAZACYCLODODECANE-1,4,7,10-TETRAACETIC ACID DOTA
TETRAAZA-12-CROWN-4 TETRAACETIC ACID AMMONIUM SALT (SEE 2923)
1,4,7,10-TETRAAZACYCLODODECANE-N,N',N'',N'''-TETRAACETIC ACID
1,4,7,10-tetrakis(carboxymethyl)-1,4,7,10-tetraazacyclododecane
1,4,7,10-TETRAAZACYCLODODECANE-1,4,7,10-TETRAACETIC ACID, FREE ACID
1,4,7,10-TETRAAZACYCLODODECANE-N,N'',N , N''-TETRAACETIC ACID , (DOTA)
1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid >=97.0% (CHN)
1,4,7,10-Tetraazacyclododecane-N,N',N'',N'''-tetraaceticacid,min.98%DOTA
Tetraxetan/DOTA/1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid
2,2',2'',2'''-(1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetryl)tetraacetic acid
2,2',2'',2'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetraacetic acid
2,2',2'',2'''-(1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetryl)tetrakisacetic acid
2,2',2'',2'''-(1,4,7,10-tetraazacyclododecane
-1,4,7,10-tetrayl)tetraacetic acid(DOTA)
DOTA Tetraxetan 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic acid | [EINECS(EC#)]
611-959-5 | [Molecular Formula]
C16H28N4O8 | [MDL Number]
MFCD00068657 | [MOL File]
60239-18-1.mol | [Molecular Weight]
404.42 |
| Chemical Properties | Back Directory | [Appearance]
Colourless crystals | [Melting point ]
267 °C | [Boiling point ]
701.6±60.0 °C(Predicted) | [density ]
1.321 | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Water (Slightly, Heated), Methanol (Slightly) | [form ]
Powder | [pka]
2.16±0.10(Predicted) | [color ]
white | [BRN ]
1186987 | [Stability:]
Hygroscopic | [InChI]
InChI=1S/C16H28N4O8/c21-13(22)9-17-1-2-18(10-14(23)24)5-6-20(12-16(27)28)8-7-19(4-3-17)11-15(25)26/h1-12H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28) | [InChIKey]
WDLRUFUQRNWCPK-UHFFFAOYSA-N | [SMILES]
N1(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1 |
| Hazard Information | Back Directory | [Chemical Properties]
Colourless crystals | [Uses]
Bifunctional DOTA aconjugates to peptides and has become an established strategy for constructing target-specific metal containing agents including targeted MRI contrast agents and diagnostic and ther
apeutic radiopharmaceuticals. | [Definition]
ChEBI: An azamacrocyle in which four nitrogen atoms at positions 1, 4, 7 and 10 of a twelve-membered ring are each substituted with a carboxymethyl group. | [Synthesis]
To a three-necked flask, 1,4,7,10-tetraazacyclododecane (100 g, 0.58 mol) and 10 ml of deionized water were added and mixed with stirring. The pH of the reaction system was adjusted to 8.5 by slow dropwise addition of 30% potassium hydroxide solution.Subsequently, chloroacetic acid (263 g, 2.78 mol) was added and the pH was adjusted again to 8.5 using 30% potassium hydroxide solution.The reaction mixture was heated to 80 °C and kept for 24 h, during which time the pH was continually monitored and adjusted to maintain a pH value between 8.5 and 9. After completion of the reaction, it was cooled to room temperature and the pH was adjusted to 2 by adding concentrated hydrochloric acid, at which time a white precipitate was produced. The precipitate was collected by filtration and the filter cake was recrystallized from a mixed water-ethanol solution. The resulting crystals were washed with ethanol and ether in turn, and 183 g of 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid (DOTA) crystals were obtained after drying with a yield of 78%. | [References]
[1] Journal of Labelled Compounds and Radiopharmaceuticals, 2003, vol. 46, # 3, p. 197 - 209
[2] Dalton Transactions, 2016, vol. 45, # 23, p. 9553 - 9564
[3] Patent: WO2014/114664, 2014, A1. Location in patent: Page/Page column 28-29
[4] Patent: WO2015/117911, 2015, A1. Location in patent: Paragraph 0081; 0082; 0083; 0084
[5] Patent: CN104447598, 2017, B. Location in patent: Paragraph 0096; 0098; 0099 |
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Chem-Stone Co.,Ltd. Gold
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020-82185713,82185709 13418171485 |
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www.chem-stone.com |
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Shanghai GL Peptide Ltd. Gold
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+86-21-61263310 13764994101 |
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www.chemicalbook.com/supplier/10480342/ |
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J & K SCIENTIFIC LTD.
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18210857532 18210857532 |
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https://www.jkchemical.com |
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Energy Chemical
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400-0056266 |
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www.energy-chemical.com |
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Jia Xing Isenchem Co.,Ltd
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0573-85285100 18627885956 |
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https://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm |
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