Description

1,4,7,10-Tetraazacyclododecane-1,4,7-Triacetic Acid, 10-[2-Oxo-2-(2-Propyn-1-Ylamino)Ethyl]-, 1,4,7-Tris(1,1-Dimethylethyl) Ester is a key protected intermediate in the synthesis of advanced macrocyclic chelating agents. This compound is specifically engineered for the site-specific conjugation of metal chelators to biomolecules, such as antibodies and peptides, via its reactive alkyne group. It is an essential building block for researchers and manufacturers in the fields of radiopharmaceuticals, molecular imaging, and targeted cancer therapy, enabling the development of next-generation diagnostic and therapeutic agents.

Application

• Radiopharmaceutical Precursor: A critical intermediate for synthesizing DOTA-like bifunctional chelators used to complex diagnostic (e.g., 68Ga, 64Cu) and therapeutic (e.g., 177Lu, 225Ac) radiometals.
• Antibody-Drug Conjugate (ADC) Linker Chemistry: Enables the stable attachment of metal chelates to monoclonal antibodies for targeted radioimmunotherapy and imaging.
• PET/MRI Contrast Agent Development: Serves as a protected scaffold for creating dual-modal imaging probes by conjugating with targeting vectors.
• Peptide Labeling: Used to label somatostatin analogs, PSMA inhibitors, and other targeting peptides with radiometals for nuclear medicine.
• Click Chemistry Conjugation: The terminal alkyne group allows for efficient, site-specific bioconjugation via copper-catalyzed azide-alkyne cycloaddition (CuAAC).
• Research & Development: A valuable tool for academic and industrial R&D in bioinorganic chemistry, medicinal chemistry, and molecular probe design.

Basic Information

Product Name	1,4,7,10-Tetraazacyclododecane-1,4,7-Triacetic Acid, 10-[2-Oxo-2-(2-Propyn-1-Ylamino)Ethyl]-, 1,4,7-Tris(1,1-Dimethylethyl) Ester
CAS No.	911197-00-7
Molecular Formula	C33H57N5O8
Molecular Weight	651.84 g/mol
Synonyms	DOTA-tris(t-Bu ester)-alkyne; 2-Propyn-1-amine, N-[2-[4,7,10-tris(1,1-dimethylethoxycarbonylmethyl)-1,4,7,10-tetraazacyclododec-1-yl]-2-oxoethyl]-; DOTA-tris(t-butyl ester)-Propargylamide; Alkyne-DOTA-tris(t-Bu ester); Bifunctional DOTA Derivative (t-Bu ester, alkyne); Propargyl-DOTA-tris(t-butyl ester); N-(2-Oxo-2-((4,7,10-tris(2-(tert-butoxy)-2-oxoethyl)-1,4,7,10-tetraazacyclododecan-1-yl)ethyl)prop-2-ynamide
EINECS	Contact for details

Quality Control

Our production of this high-value intermediate adheres to strict quality management systems to ensure batch-to-batch consistency and purity critical for sensitive bioconjugation reactions. Identity and purity are verified by advanced analytical techniques including NMR, HPLC, and mass spectrometry. A comprehensive Certificate of Analysis (COA) detailing purity, assay, and impurity profiles is provided with each shipment to support your regulatory and R&D documentation.

Storage

Preserve in a tightly closed container, protected from light. Store in a freezer at -20°C or below. This material is hygroscopic (moisture-sensitive). Allow the sealed container to equilibrate to room temperature before opening to prevent condensation and moisture ingress.

Specification

Item	Specification
Appearance	White to off-white solid
Identification (HPLC)	Conforms to reference standard
Identification (NMR)	Conforms to structure
Purity (HPLC)	≥ 95.0%
Assay	≥ 97.0% (by NMR)
Water Content (KF)	≤ 1.0%
Residual Solvents (GC)	Meets ICH guidelines

Note: Specifications can be tailored. Please contact us for the detailed technical data sheet of a specific grade.