DOTA-tris(t-Bu ester) is a macrocyclic chelator derivative of DOTA bearing three tert-butyl ester groups, classifiable as a structurally modified amino acid derivative in which carboxylate functionality is masked as ester carbonyls. The molecule contains the DOTA macrocycle with multiple tertiary amine and carboxylate-derived coordination sites, while the tert-butyl ester substituents reduce the presence of free carboxylate anions and thereby modulate metal-binding behavior and solubility characteristics relative to the corresponding free-acid chelator. In synthetic and analytical research, it is used as a protected chelator precursor for preparing metal-complexing conjugates and for constructing labeled or metal-coordinated bioconjugates where controlled deprotection and subsequent chelation are required.
CAT No: CP26347
CAS No:137076-54-1
Synonyms/Alias:4,7,10-Tri-(t-butyloxycarbonylmethyl)-1,4,7,10-tetraazacyclododecan-1-yl-acetic acid;137076-54-1;Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate;2-(4,7,10-Tris(2-(tert-butoxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl)acetic acid;DOTA-tri(t-butyl ester);2-[4,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid;DOTA(OBu-t)3;MFCD02259697;TRI-TERT-BUTYL 1 4 7 10-TETRAAZACYCLODOD;DOTA(OtBu) hydrobromide salt;2-(4,7,10-TRIS(2-TERT-BUTOXY-2-OXOETHYL)-1,4,7,10-TETRAAZACYCLODODECAN-1-YL)ACETIC ACID;2-{4,7,10-tris[2-(tert-butoxy)-2-oxoethyl]-1,4,7,10-tetraazacyclododecan-1-yl}acetic acid;DOTA-tris (t-Bu ester) (~90%);DOTA-tri-t-Bu-ester;RVUXZXMKYMSWOM-UHFFFAOYSA-N;{4,7,10-TRIS[2-(TERT-BUTOXY)-2-OXOETHYL]-1,4,7,10-TETRAAZACYCLODODECAN-1-YL}ACETIC ACID;Tri-tert-Bu-DOTA;DOTA(OtBu)3;DOTA-tris(t-Bu)ester;DOTA(tBu)3-OH;CVY7P26TWY;1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetic Acid Tri-tert-butyl Ester;SCHEMBL1041478;DTB-5003-PI;DTXSID90469329;C28H52N4O8;BCP08918;1,4,7,10-tetraazacyclododecane-1,4,7-tris-tert-butyl acetate-10-acetic acid;AKOS015893988;FT49920;HY-W034551;1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetic acid, tris(1,1-dimethylethyl) ester;4,7,10-Tri-(t-butyloxycarbonylmethyl)-1,4,7,10-tetraazacyclododecan-1-yl-acetic acid;4,7,10-Tri-(tert-butyloxycarbonylmethyl)- 1,4,7,10-tetraazacyclododecan-1-yl-acetic acid;BP-23988;DS-11439;SY053512;CS-0085511;T2642;[4,7,10-Tris(2-tert-butoxy-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl]acetic acid;2-(4,7,10-Tris(2-(tert-butoxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl)aceticacid;2-(4,7,10-tris(2-t-butoxy-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl)acetic acid;Tri-tert-butyl 1,4,7,10-tetraazacyclododecane-1,4,7,10-tetraacetate, >=95.0% (CHN);4,7,10-Tricarboxymethyl-tert-butyl ester,1,4,7,10-tetraazacyclododecane-1-acetate;DOTA-tris(tBu)Ester;635-059-7;
DOTA-tris(t-Bu ester) is a DOTA-based macrocyclic chelator protected as three tert-butyl ester groups, providing a hydrophobic, ester-stabilized form that is commonly handled as a chemical building block for radiolabeling and conjugation workflows. The macrocycle framework is designed to coordinate metal ions, while the ester protection pattern supports downstream functionalization strategies that convert the material into a more water-compatible chelator conjugate. This reagent is therefore used by radiochemistry and chemical biology teams to construct metal-chelating conjugates for analytical and labeling applications.
1. Radiolabeling Chelator Building Block
DOTA-tris(t-Bu ester) is used as a chelator precursor in radiochemistry workflows where a DOTA macrocycle is required to bind metal radionuclides for labeling studies. Researchers in tracer development and radiolabeled probe preparation select this protected form to manage handling and reactivity during multi-step synthesis, then proceed to generate the corresponding metal-binding chelator under conditions compatible with the labeling sequence. The DOTA framework supports robust coordination chemistry, while the tert-butyl ester protection pattern helps maintain the reagent as a defined intermediate during conjugate assembly and purification.
2. Bioconjugate Chelator Synthesis
DOTA-tris(t-Bu ester) is frequently employed in chemical biology and biomaterials laboratories to build metal-chelating conjugates for use in labeling, tracking, and assay development. Teams preparing conjugates for peptides, proteins, polymers, or surfaces rely on DOTA's strong metal coordination to create stable metal-binding handles that can be introduced into larger biomolecular constructs. The ester-protected form is particularly useful when the chelator must be carried through conjugation steps as a controlled intermediate before conversion to the corresponding carboxylate-bearing chelator for improved aqueous compatibility in downstream applications.
3. Analytical Reference Standards
DOTA-tris(t-Bu ester) is used in analytical method development and instrumentation-facing workflows that require defined DOTA-based chelator chemistry as part of calibration or process qualification. Analytical chemists and radiochemistry method developers may incorporate this reagent into standard preparation streams to evaluate labeling efficiency, chelation behavior, and stability of metal-chelator complexes under controlled conditions. Because the product is a discrete, macrocycle-defined intermediate, it supports reproducible comparison across batches during method optimization for metal-binding assays and labeling-related sample preparation.
4. Metal-Complex Material Development
DOTA-tris(t-Bu ester) serves as a starting chelator material for preparing metal-coordinating materials and metal-binding polymer/particle systems in research settings. Materials scientists use DOTA-based chelator chemistry to introduce metal-binding functionality into composite constructs where controlled coordination is required for subsequent characterization or functional testing. The tert-butyl ester protection pattern helps tailor solubility and processability during material synthesis steps, enabling incorporation into larger formulations before conversion to the more polar chelator form used to coordinate metal ions in the final material state.
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